Compile Data Set for Download or QSAR

Found 1100 hits with Last Name = 'mazurov' and Initial = 'a'   

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))	BDBM50393244 (CHEMBL2151438) Show SMILES C1c2cc(cnc2O[C@]11CN2CCC1CC2)-c1ccoc1 |r,wU:8.8,(21.23,-.78,;22.37,.25,;23.89,.09,;24.79,1.32,;24.17,2.73,;22.65,2.89,;21.75,1.65,;20.22,1.49,;19.9,-.01,;19.9,-1.55,;18.56,-2.31,;17.23,-1.55,;17.23,-.01,;18.56,.77,;19.32,-.56,;17.82,-.96,;26.33,1.34,;27.22,2.6,;28.69,2.15,;28.72,.6,;27.26,.11,)| Show InChI InChI=1S/C17H18N2O2/c1-4-19-5-2-15(1)17(11-19)8-13-7-14(9-18-16(13)21-17)12-3-6-20-10-12/h3,6-7,9-10,15H,1-2,4-5,8,11H2/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Binding affinity to human alpha7 nAchR				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164899 (5-Iodo-thiophene-2-carboxylic acid ((2R,3R)-2-pyri...) Show SMILES Ic1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:9.9,16.19,(12.83,1.4,;12.35,-.05,;13.24,-1.31,;12.35,-2.57,;10.88,-2.08,;10.88,-.54,;9.55,-2.85,;9.55,-4.39,;8.22,-2.08,;6.87,-2.85,;5.54,-2.06,;4.77,-3.39,;6.1,-4.16,;5.54,-5.14,;4.23,-4.39,;4.23,-2.85,;6.87,-4.39,;8.22,-5.16,;8.2,-6.7,;6.87,-7.45,;6.87,-8.99,;8.2,-9.76,;9.55,-8.99,;9.53,-7.45,)| Show InChI InChI=1S/C18H20IN3OS/c19-16-4-3-15(24-16)18(23)21-17-13-5-8-22(9-6-13)14(17)10-12-2-1-7-20-11-12/h1-4,7,11,13-14,17H,5-6,8-10H2,(H,21,23)/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus				Bioorg Med Chem Lett 15: 2073-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.045 BindingDB Entry DOI: 10.7270/Q2GT5NX3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50393252 (CHEMBL2151570) Show SMILES C1CN2CCC1[C@H](C2)Oc1ccc(nn1)-c1ccc2[nH]ccc2c1 |r,wU:6.9,(10.31,-30.96,;10.31,-32.5,;11.64,-33.26,;10.9,-31.9,;12.4,-31.51,;11.64,-30.18,;12.97,-30.96,;12.97,-32.5,;14.31,-30.2,;15.64,-30.97,;16.97,-30.21,;18.3,-30.98,;18.3,-32.52,;16.96,-33.29,;15.63,-32.51,;19.62,-33.3,;19.61,-34.84,;20.94,-35.61,;22.28,-34.84,;23.75,-35.31,;24.65,-34.07,;23.75,-32.82,;22.28,-33.3,;20.95,-32.53,)| Show InChI InChI=1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Displacement of [3H]A-585539 from alpha7 nAChR rat cortex				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437479 (CHEMBL2409491) Show SMILES C[C@@H]1C[C@@H]1C(=O)N1CC2CNCC(C2)C1 |r| Show InChI InChI=1S/C12H20N2O/c1-8-2-11(8)12(15)14-6-9-3-10(7-14)5-13-4-9/h8-11,13H,2-7H2,1H3/t8-,9?,10?,11+/m1/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50393252 (CHEMBL2151570) Show SMILES C1CN2CCC1[C@H](C2)Oc1ccc(nn1)-c1ccc2[nH]ccc2c1 |r,wU:6.9,(10.31,-30.96,;10.31,-32.5,;11.64,-33.26,;10.9,-31.9,;12.4,-31.51,;11.64,-30.18,;12.97,-30.96,;12.97,-32.5,;14.31,-30.2,;15.64,-30.97,;16.97,-30.21,;18.3,-30.98,;18.3,-32.52,;16.96,-33.29,;15.63,-32.51,;19.62,-33.3,;19.61,-34.84,;20.94,-35.61,;22.28,-34.84,;23.75,-35.31,;24.65,-34.07,;23.75,-32.82,;22.28,-33.3,;20.95,-32.53,)| Show InChI InChI=1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Displacement of [3H]A-585539 from alpha7 nAChR human cortex				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397944 (CHEMBL2177512) Show SMILES C1NCC2CC1CN(C2)c1cccnc1 Show InChI InChI=1S/C12H17N3/c1-2-12(7-13-3-1)15-8-10-4-11(9-15)6-14-5-10/h1-3,7,10-11,14H,4-6,8-9H2	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					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
Targacept, Inc Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50135597 (2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...) Show SMILES C1CC2NC1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0| Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2	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	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164907 (5-Bromo-thiophene-3-carboxylic acid ((2R,3R)-2-pyr...) Show SMILES Brc1cc(cs1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:9.9,16.19,(10.46,1.7,;8.92,1.7,;8.03,.44,;6.56,.93,;6.56,2.47,;8.03,2.93,;5.23,.16,;5.23,-1.38,;3.9,.93,;2.55,.16,;1.22,.93,;.45,-.4,;1.78,-1.17,;1.22,-2.15,;-.09,-1.38,;-.09,.16,;2.55,-1.38,;3.9,-2.15,;3.88,-3.69,;2.55,-4.46,;2.55,-6,;3.88,-6.77,;5.23,-6,;5.21,-4.46,)| Show InChI InChI=1S/C18H20BrN3OS/c19-16-9-14(11-24-16)18(23)21-17-13-3-6-22(7-4-13)15(17)8-12-2-1-5-20-10-12/h1-2,5,9-11,13,15,17H,3-4,6-8H2,(H,21,23)/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus				Bioorg Med Chem Lett 15: 2073-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.045 BindingDB Entry DOI: 10.7270/Q2GT5NX3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]methyllycaconitine form alpha7 nAchR in rat hippocampal membranes				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437496 (CHEMBL3037927) Show SMILES O=C(C1CC1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C11H17NO/c13-11(7-1-2-7)8-3-9-5-12-6-10(9)4-8/h7-10,12H,1-6H2/t8-,9-,10+	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50399780 (CHEMBL2179874) Show SMILES Ic1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(34.89,-18.91,;33.35,-18.9,;32.45,-17.65,;30.99,-18.12,;30.98,-19.66,;32.44,-20.14,;29.83,-20.69,;29.83,-22.23,;28.5,-19.92,;27.16,-20.68,;25.83,-19.9,;24.51,-20.68,;24.51,-22.22,;25.83,-22.98,;25.05,-21.65,;26.43,-21.15,;27.16,-22.22,;28.5,-22.99,;28.49,-24.53,;27.16,-25.3,;27.15,-26.84,;28.49,-27.61,;29.83,-26.83,;29.82,-25.3,)| Show InChI InChI=1S/C18H20IN3OS/c19-16-4-3-15(24-16)18(23)21-17-13-5-8-22(9-6-13)14(17)10-12-2-1-7-20-11-12/h1-4,7,11,13-14,17H,5-6,8-10H2,(H,21,23)/t14-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164951 ((E)-3-Phenyl-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)\C=C\c1ccccc1 |wU:3.2,10.12,(6.07,.83,;6.07,2.36,;4.74,3.14,;3.39,2.38,;2.06,3.15,;.73,2.38,;.73,.83,;2.06,.06,;2.62,1.04,;1.28,1.82,;3.39,.83,;4.74,.06,;4.73,-1.49,;3.39,-2.26,;3.39,-3.81,;4.73,-4.57,;6.07,-3.81,;6.06,-2.26,;7.4,3.14,;8.72,2.36,;10.06,3.12,;10.06,4.65,;11.38,5.42,;12.71,4.64,;12.7,3.11,;11.38,2.36,)| Show InChI InChI=1S/C22H25N3O/c26-21(9-8-17-5-2-1-3-6-17)24-22-19-10-13-25(14-11-19)20(22)15-18-7-4-12-23-16-18/h1-9,12,16,19-20,22H,10-11,13-15H2,(H,24,26)/b9-8+/t20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus				Bioorg Med Chem Lett 15: 2073-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.045 BindingDB Entry DOI: 10.7270/Q2GT5NX3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164953 (5-Pyridin-2-yl-thiophene-2-carboxylic acid ((2R,3R...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(s1)-c1ccccn1 |wU:3.2,10.12,(9.55,-6.55,;9.55,-5.01,;8.21,-4.24,;6.87,-5.01,;5.54,-4.24,;4.22,-5.01,;4.22,-6.55,;5.54,-7.33,;6.1,-6.34,;4.77,-5.57,;6.87,-6.55,;8.21,-7.33,;8.21,-8.87,;6.87,-9.64,;6.87,-11.18,;8.21,-11.96,;9.55,-11.18,;9.54,-9.64,;10.88,-4.24,;12.35,-4.73,;13.26,-3.47,;12.35,-2.23,;10.88,-2.7,;12.84,-.76,;11.81,.39,;12.28,1.82,;13.8,2.15,;14.82,1.02,;14.36,-.45,)| Show InChI InChI=1S/C23H24N4OS/c28-23(21-7-6-20(29-21)18-5-1-2-11-25-18)26-22-17-8-12-27(13-9-17)19(22)14-16-4-3-10-24-15-16/h1-7,10-11,15,17,19,22H,8-9,12-14H2,(H,26,28)/t19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus				Bioorg Med Chem Lett 15: 2073-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.045 BindingDB Entry DOI: 10.7270/Q2GT5NX3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50399779 (CHEMBL2179875) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1ccccc1 |r,wU:3.2,wD:10.12,(40.04,-22.15,;40.04,-20.61,;38.71,-19.84,;37.37,-20.6,;36.04,-19.83,;34.72,-20.6,;34.72,-22.14,;36.04,-22.91,;35.26,-21.57,;36.64,-21.07,;37.37,-22.14,;38.71,-22.92,;38.7,-24.46,;37.37,-25.22,;37.36,-26.76,;38.7,-27.53,;40.04,-26.76,;40.03,-25.22,;41.19,-19.58,;41.2,-18.04,;42.66,-17.58,;43.56,-18.82,;42.65,-20.06,;45.1,-18.83,;45.86,-20.17,;47.4,-20.18,;48.18,-18.85,;47.4,-17.51,;45.87,-17.51,)| Show InChI InChI=1S/C24H25N3OS/c28-24(22-9-8-21(29-22)18-6-2-1-3-7-18)26-23-19-10-13-27(14-11-19)20(23)15-17-5-4-12-25-16-17/h1-9,12,16,19-20,23H,10-11,13-15H2,(H,26,28)/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50399777 (CHEMBL2179877) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1ccccn1 |r,wU:3.2,wD:10.12,(17.82,-36.07,;17.82,-34.53,;16.49,-33.76,;15.15,-34.53,;13.82,-33.75,;12.49,-34.53,;12.49,-36.07,;13.82,-36.83,;13.04,-35.49,;14.42,-34.99,;15.15,-36.07,;16.48,-36.84,;16.48,-38.38,;15.15,-39.14,;15.14,-40.68,;16.48,-41.46,;17.82,-40.68,;17.81,-39.14,;18.97,-33.5,;18.98,-31.97,;20.44,-31.5,;21.34,-32.75,;20.43,-33.98,;22.88,-32.76,;23.65,-31.43,;25.18,-31.43,;25.95,-32.77,;25.18,-34.1,;23.64,-34.1,)| Show InChI InChI=1S/C23H24N4OS/c28-23(21-7-6-20(29-21)18-5-1-2-11-25-18)26-22-17-8-12-27(13-9-17)19(22)14-16-4-3-10-24-15-16/h1-7,10-11,15,17,19,22H,8-9,12-14H2,(H,26,28)/t19-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164925 (1-Hydroxy-naphthalene-2-carboxylic acid ((2R,3R)-2...) Show SMILES Oc1c(ccc2ccccc12)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:14.15,21.25,(10.27,6.38,;10.27,7.91,;8.96,8.68,;8.96,10.2,;10.27,10.97,;11.62,10.2,;12.94,10.97,;14.27,10.2,;14.27,8.66,;12.94,7.89,;11.61,8.67,;7.63,7.91,;7.63,6.38,;6.3,8.7,;4.96,7.91,;3.62,8.71,;2.3,7.91,;2.3,6.4,;3.62,5.63,;4.17,6.61,;2.84,7.38,;4.96,6.4,;6.3,5.61,;6.29,4.07,;4.94,3.31,;4.94,1.77,;6.29,1,;7.63,1.77,;7.62,3.31,)| Show InChI InChI=1S/C24H25N3O2/c28-23-19-6-2-1-5-17(19)7-8-20(23)24(29)26-22-18-9-12-27(13-10-18)21(22)14-16-4-3-11-25-15-16/h1-8,11,15,18,21-22,28H,9-10,12-14H2,(H,26,29)/t21-,22-/m1/s1	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
Targacept, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus				Bioorg Med Chem Lett 15: 2073-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.045 BindingDB Entry DOI: 10.7270/Q2GT5NX3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50498034 (CHEMBL3329543) Show SMILES C[C@@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H] nicotine from human alpha4beta2 nAChR transfected in SH-EP1 cells by liquid scintillation counting				Eur J Med Chem 86: 60-74 (2014) Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Targacept, Inc Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR in rat hippocampal membranes				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50498033 (CHEMBL3329540) Show SMILES F[C@@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H] nicotine from human alpha4beta2 nAChR transfected in SH-EP1 cells by liquid scintillation counting				Eur J Med Chem 86: 60-74 (2014) Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50161758 (2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...) Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2 |wD:13.14,(6.37,-10.17,;7.7,-9.41,;9.02,-10.21,;10.37,-9.5,;11.82,-10.05,;12.78,-8.84,;11.91,-7.55,;10.43,-7.97,;9.14,-7.15,;7.77,-7.86,;9.21,-5.61,;7.89,-4.79,;10.56,-4.88,;10.62,-3.34,;12,-2.64,;12.07,-1.08,;10.76,-.26,;9.37,-.98,;9.31,-2.54,;10.14,-1.35,;10.78,-1.99,)| Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Targacept, Inc Curated by ChEMBL					Assay Description Binding affinity to 5HT3 receptor				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397903 (CHEMBL2179962) Show SMILES O=C(C1CC1)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C11H18N2O/c14-11(10-1-2-10)13-6-8-3-9(7-13)5-12-4-8/h8-10,12H,1-7H2	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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397901 (CHEMBL2179965) Show SMILES O=C(C1CC1)N1C[C@@H]2CN[C@H](C2)C1 |r| Show InChI InChI=1S/C10H16N2O/c13-10(8-1-2-8)12-5-7-3-9(6-12)11-4-7/h7-9,11H,1-6H2/t7-,9+/m0/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164924 (Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1cc2ccccc2o1 |wU:3.2,10.12,(5.23,-1.38,;5.23,.16,;3.9,.93,;2.55,.16,;1.22,.93,;.45,-.4,;1.78,-1.17,;1.22,-2.15,;-.09,-1.38,;-.09,.16,;2.55,-1.38,;3.9,-2.15,;3.88,-3.69,;2.55,-4.46,;2.55,-6,;3.88,-6.77,;5.23,-6,;5.21,-4.46,;6.56,.93,;8.03,.44,;8.94,1.7,;10.46,1.86,;11.08,3.27,;10.17,4.52,;8.64,4.36,;8.03,2.94,;6.56,2.47,)| 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-/m1/s1	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
Targacept, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus				Bioorg Med Chem Lett 15: 2073-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.045 BindingDB Entry DOI: 10.7270/Q2GT5NX3
					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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50609510 (CHEMBL5276123) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437471 (CHEMBL2409489) Show SMILES C[C@@H]1C[C@H]1C(=O)N1CC2CNCC(C2)C1 |r| Show InChI InChI=1S/C12H20N2O/c1-8-2-11(8)12(15)14-6-9-3-10(7-14)5-13-4-9/h8-11,13H,2-7H2,1H3/t8-,9?,10?,11-/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437491 (CHEMBL2409487) Show SMILES F[C@@H]1C[C@H]1C(=O)N1CC2CNCC(C2)C1 |r| Show InChI InChI=1S/C11H17FN2O/c12-10-2-9(10)11(15)14-5-7-1-8(6-14)4-13-3-7/h7-10,13H,1-6H2/t7?,8?,9-,10-/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437481 (CHEMBL2409482) Show SMILES C[C@@H]1C[C@@H]1C(=O)N1CC2CNCC2C1 |r| Show InChI InChI=1S/C11H18N2O/c1-7-2-10(7)11(14)13-5-8-3-12-4-9(8)6-13/h7-10,12H,2-6H2,1H3/t7-,8?,9?,10+/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397903 (CHEMBL2179962) Show SMILES O=C(C1CC1)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C11H18N2O/c14-11(10-1-2-10)13-6-8-3-9(7-13)5-12-4-8/h8-10,12H,1-7H2	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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Binding affinity to human alpha7 nAChR expressed in HEK293 cells co-expressing RIC3 cDNA				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50309873 (4-(6-Chlorooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabi...) Show SMILES Clc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(-1.41,-19.11,;-1.97,-20.56,;-.99,-21.77,;-1.55,-23.21,;-3.08,-23.45,;-3.94,-24.73,;-5.43,-24.32,;-5.49,-22.78,;-4.05,-22.24,;-3.49,-20.8,;-6.76,-25.09,;-6.39,-26.56,;-7.4,-25.84,;-8.78,-25.91,;-8.85,-24.2,;-8.23,-23.06,;-8.17,-24.47,;-9.47,-25.17,;-9.77,-26.61,)| Show InChI InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)16-13(19-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Targacept, Inc Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50399781 (CHEMBL2179873) Show SMILES Brc1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(21.88,-19.63,;20.34,-19.62,;19.44,-18.37,;17.98,-18.84,;17.97,-20.37,;19.43,-20.86,;16.82,-21.41,;16.81,-22.95,;15.48,-20.63,;14.15,-21.4,;12.82,-20.62,;11.49,-21.4,;11.49,-22.94,;12.82,-23.7,;12.03,-22.36,;13.41,-21.86,;14.15,-22.94,;15.48,-23.71,;15.48,-25.25,;14.14,-26.01,;14.14,-27.55,;15.47,-28.33,;16.81,-27.55,;16.81,-26.01,)| Show InChI InChI=1S/C18H20BrN3OS/c19-16-4-3-15(24-16)18(23)21-17-13-5-8-22(9-6-13)14(17)10-12-2-1-7-20-11-12/h1-4,7,11,13-14,17H,5-6,8-10H2,(H,21,23)/t14-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50023330 (1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...) Show SMILES CC(=O)C1=CCCC2CCC1N2 |t:3,THB:1:3:11:9.8| Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50498045 (CHEMBL3329537) Show SMILES F[C@@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H] nicotine from human alpha4beta2 nAChR transfected in SH-EP1 cells by liquid scintillation counting				Eur J Med Chem 86: 60-74 (2014) Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50399776 (CHEMBL2179878) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1cccs1 |r,wU:3.2,wD:10.12,(34.31,-36.29,;34.32,-34.75,;32.99,-33.98,;31.65,-34.74,;30.32,-33.97,;28.99,-34.74,;28.99,-36.28,;30.32,-37.05,;29.54,-35.71,;30.91,-35.21,;31.65,-36.28,;32.98,-37.06,;32.98,-38.6,;31.64,-39.36,;31.64,-40.9,;32.97,-41.67,;34.31,-40.9,;34.31,-39.36,;35.47,-33.72,;35.48,-32.19,;36.94,-31.72,;37.84,-32.96,;36.93,-34.2,;39.38,-32.97,;40.29,-31.73,;41.75,-32.21,;41.74,-33.75,;40.27,-34.22,)| Show InChI InChI=1S/C22H23N3OS2/c26-22(20-6-5-19(28-20)18-4-2-12-27-18)24-21-16-7-10-25(11-8-16)17(21)13-15-3-1-9-23-14-15/h1-6,9,12,14,16-17,21H,7-8,10-11,13H2,(H,24,26)/t17-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437473 (CHEMBL2409486) Show SMILES F[C@@H]1C[C@@H]1C(=O)N1CC2CNCC(C2)C1 |r| Show InChI InChI=1S/C11H17FN2O/c12-10-2-9(10)11(15)14-5-7-1-8(6-14)4-13-3-7/h7-10,13H,1-6H2/t7?,8?,9-,10+/m0/s1	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50609510 (CHEMBL5276123) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50397942 (CHEMBL2179534) Show SMILES Brc1ccoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13BrN2O2/c12-9-1-2-16-10(9)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.5	-49.7	n/a	n/a	n/a	n/a	n/a	n/a	21
Targacept, Inc. US Patent					Assay Description The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=...				US Patent US8921410 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28PT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50397942 (CHEMBL2179534) Show SMILES Brc1ccoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13BrN2O2/c12-9-1-2-16-10(9)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.5	-49.7	n/a	n/a	n/a	n/a	n/a	n/a	21
Targacept, Inc. US Patent					Assay Description The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=...				US Patent US8921410 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28PT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50190788 (CHEMBL378471 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...) Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1 |wU:3.2,(-3.91,-15.15,;-3.91,-16.69,;-2.57,-17.45,;-1.24,-16.67,;-1.25,-15.14,;.09,-14.37,;1.43,-15.13,;1.43,-16.67,;.1,-17.45,;-.78,-16.3,;.04,-15.5,;-5.24,-17.46,;-5.23,-19.02,;-6.57,-19.79,;-7.91,-19.02,;-9.37,-19.49,;-10.28,-18.24,;-9.37,-17,;-7.9,-17.48,;-6.58,-16.7,)| Show InChI InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(9-13)5-8-20-15)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM141885 (US8921410, Table 2 Compound 20) Show SMILES Brc1cc(oc1Br)C(=O)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C12H14Br2N2O2/c13-9-2-10(18-11(9)14)12(17)16-5-7-1-8(6-16)4-15-3-7/h2,7-8,15H,1,3-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-49.5	n/a	n/a	n/a	n/a	n/a	n/a	21
Targacept, Inc. US Patent					Assay Description The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=...				US Patent US8921410 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28PT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50498046 (CHEMBL3329538) Show SMILES F[C@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H] nicotine from human alpha4beta2 nAChR transfected in SH-EP1 cells by liquid scintillation counting				Eur J Med Chem 86: 60-74 (2014) Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50397929 (CHEMBL2179547) Show SMILES Brc1coc(c1)C(=O)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C12H15BrN2O2/c13-10-2-11(17-7-10)12(16)15-5-8-1-9(6-15)4-14-3-8/h2,7-9,14H,1,3-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.70	-49.4	n/a	n/a	n/a	n/a	n/a	n/a	21
Targacept, Inc. US Patent					Assay Description The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=...				US Patent US8921410 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28PT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50399767 (CHEMBL2180253) Show SMILES Oc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(39.86,-14.21,;39.23,-15.62,;40.13,-16.87,;39.49,-18.26,;37.97,-18.41,;37.07,-19.65,;35.61,-19.17,;35.61,-17.63,;37.08,-17.16,;37.71,-15.77,;34.45,-20.2,;34.45,-21.74,;33.12,-19.43,;31.78,-20.19,;30.45,-19.41,;29.12,-20.19,;29.12,-21.74,;30.45,-22.5,;29.66,-21.16,;31.04,-20.66,;31.78,-21.74,;33.12,-22.51,;33.11,-24.05,;31.77,-24.82,;31.77,-26.36,;33.11,-27.13,;34.45,-26.36,;34.45,-24.82,)| Show InChI InChI=1S/C22H23N3O3/c26-17-3-4-19-16(11-17)12-20(28-19)22(27)24-21-15-5-8-25(9-6-15)18(21)10-14-2-1-7-23-13-14/h1-4,7,11-13,15,18,21,26H,5-6,8-10H2,(H,24,27)/t18-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437478 (CHEMBL2409475) Show SMILES CNC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1 |r| Show InChI InChI=1S/C10H18N2O/c1-11-10(13)9-3-7-2-8(4-9)6-12-5-7/h7-9,12H,2-6H2,1H3,(H,11,13)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50393245 (CHEMBL2151439) Show SMILES O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2ccccc12 |r,wD:3.2,(-1.66,-41.21,;-1.66,-39.67,;-2.99,-38.9,;-4.32,-39.66,;-4.33,-41.2,;-5.66,-41.96,;-6.98,-41.2,;-6.98,-39.66,;-5.66,-38.88,;-4.9,-40.21,;-6.39,-40.61,;-.32,-38.91,;1.09,-39.54,;2.12,-38.4,;1.36,-37.06,;1.84,-35.61,;.82,-34.46,;-.69,-34.78,;-1.17,-36.24,;-.15,-37.37,)| Show InChI InChI=1S/C15H18N4O/c20-15(14-11-3-1-2-4-12(11)17-18-14)16-13-9-19-7-5-10(13)6-8-19/h1-4,10,13H,5-9H2,(H,16,20)(H,17,18)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Inhibition of 5HT3 receptor				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397943 (CHEMBL2179959) Show SMILES C1CN2CCC1\C(C2)=C\c1cccnc1 |(25.06,-6.85,;25.06,-8.39,;26.39,-9.15,;27.1,-7.8,;25.61,-7.4,;26.39,-6.07,;27.72,-6.85,;27.72,-8.39,;29.06,-6.08,;30.39,-6.85,;31.72,-6.09,;33.06,-6.85,;33.07,-8.4,;31.73,-9.17,;30.39,-8.4,)| Show InChI InChI=1S/C13H16N2/c1-2-11(9-14-5-1)8-13-10-15-6-3-12(13)4-7-15/h1-2,5,8-9,12H,3-4,6-7,10H2/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]methylcarbamylcholine from alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair				3D Structure (crystal)

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