Compile Data Set for Download or QSAR

Found 840 hits of ec50 data for polymerid = 50006154,5101   

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))	BDBM50416397 (CHEMBL1210515) Show SMILES O=C(Cn1nc(cc(Cc2ccco2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1 Show InChI InChI=1S/C26H29N3O3/c30-25(27-22-13-19-9-4-5-10-20(19)14-22)17-29-26(31)21(15-23-11-6-12-32-23)16-24(28-29)18-7-2-1-3-8-18/h4-6,9-12,16,18,22H,1-3,7-8,13-15,17H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50416408 (CHEMBL1210516) Show SMILES Fc1cccc(CCNC(=O)Cn2nc(cc(Cc3ccco3)c2=O)C2CCCCC2)c1 Show InChI InChI=1S/C25H28FN3O3/c26-21-9-4-6-18(14-21)11-12-27-24(30)17-29-25(31)20(15-22-10-5-13-32-22)16-23(28-29)19-7-2-1-3-8-19/h4-6,9-10,13-14,16,19H,1-3,7-8,11-12,15,17H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50416407 (CHEMBL1210517) Show SMILES O=C(Cn1nc(cc(Cc2ccoc2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1 Show InChI InChI=1S/C26H29N3O3/c30-25(27-23-13-20-8-4-5-9-21(20)14-23)16-29-26(31)22(12-18-10-11-32-17-18)15-24(28-29)19-6-2-1-3-7-19/h4-5,8-11,15,17,19,23H,1-3,6-7,12-14,16H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.16	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50190786 ((R)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carb...) Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |wU:3.2,(-5.16,-23.46,;-5.16,-25,;-3.82,-25.76,;-2.49,-24.99,;-2.5,-23.45,;-1.16,-22.68,;.18,-23.45,;.18,-24.99,;-1.15,-25.76,;-2.03,-24.61,;-1.21,-23.81,;-6.49,-25.78,;-7.83,-25.01,;-9.15,-25.79,;-10.62,-25.31,;-11.52,-26.55,;-10.62,-27.8,;-9.16,-27.33,;-7.82,-28.1,;-6.48,-27.33,)| Show InChI InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	n/a	4.20	n/a	n/a	7.4	20
UC San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...				Taylor Research Group (2014) BindingDB Entry DOI: 10.7270/Q2DR2T3Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50416405 (CHEMBL1210576) Show SMILES O=C(Cc1nc(C2CCCCC2)c2ccccc2n1)NC1Cc2ccccc2C1 Show InChI InChI=1S/C25H27N3O/c29-24(26-20-14-18-10-4-5-11-19(18)15-20)16-23-27-22-13-7-6-12-21(22)25(28-23)17-8-2-1-3-9-17/h4-7,10-13,17,20H,1-3,8-9,14-16H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.31	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50416404 (CHEMBL1210577) Show SMILES O=C(Cn1nc(C2CCCCC2)c2ccccc2c1=O)NC1Cc2ccccc2C1 Show InChI InChI=1S/C25H27N3O2/c29-23(26-20-14-18-10-4-5-11-19(18)15-20)16-28-25(30)22-13-7-6-12-21(22)24(27-28)17-8-2-1-3-9-17/h4-7,10-13,17,20H,1-3,8-9,14-16H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.94	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50413332 (CHEMBL503427) Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2OCCc2c1 Show InChI InChI=1S/C21H26N2O2/c1-22-19(7-5-16-6-8-20-17(13-16)9-12-25-20)14-18(21(22)24)15-23-10-3-2-4-11-23/h6,8,13,18-19H,2-4,9-12,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50413331 (CHEMBL459900) Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2occc2c1 Show InChI InChI=1S/C21H24N2O2/c1-22-19(7-5-16-6-8-20-17(13-16)9-12-25-20)14-18(21(22)24)15-23-10-3-2-4-11-23/h6,8-9,12-13,18-19H,2-4,10-11,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50413330 (CHEMBL459689) Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2n(C)ccc2c1 Show InChI InChI=1S/C22H27N3O/c1-23-13-10-18-14-17(7-9-21(18)23)6-8-20-15-19(22(26)24(20)2)16-25-11-4-3-5-12-25/h7,9-10,13-14,19-20H,3-5,11-12,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50416402 (CHEMBL1210579) Show SMILES O=C(Cn1nc(C2CCCCC2)c2ccccc2c1=O)NCCc1ccccc1 Show InChI InChI=1S/C24H27N3O2/c28-22(25-16-15-18-9-3-1-4-10-18)17-27-24(29)21-14-8-7-13-20(21)23(26-27)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50247983 (CHEMBL454407 | cis-1-methyl-5-(phenylethynyl)-3-(p...) Show SMILES CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H24N2O/c1-20-18(11-10-16-8-4-2-5-9-16)14-17(19(20)22)15-21-12-6-3-7-13-21/h2,4-5,8-9,17-18H,3,6-7,12-15H2,1H3/t17-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50416406 (CHEMBL1210518) Show SMILES COc1ccc(Cc2cc(nn(CC(=O)NC3Cc4ccccc4C3)c2=O)C2CCCCC2)cn1 Show InChI InChI=1S/C28H32N4O3/c1-35-27-12-11-19(17-29-27)13-23-16-25(20-7-3-2-4-8-20)31-32(28(23)34)18-26(33)30-24-14-21-9-5-6-10-22(21)15-24/h5-6,9-12,16-17,20,24H,2-4,7-8,13-15,18H2,1H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50416403 (CHEMBL1210578) Show SMILES FC1(F)CCC(CC1)c1nn(CC(=O)NC2Cc3ccccc3C2)c(=O)c2ccncc12 Show InChI InChI=1S/C24H24F2N4O2/c25-24(26)8-5-15(6-9-24)22-20-13-27-10-7-19(20)23(32)30(29-22)14-21(31)28-18-11-16-3-1-2-4-17(16)12-18/h1-4,7,10,13,15,18H,5-6,8-9,11-12,14H2,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50382040 (CHEMBL2021936) Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCN3CCC2CC3)o1 |(-15.54,4.95,;-16.86,4.18,;-18.21,4.95,;-19.53,4.18,;-19.54,2.64,;-18.19,1.87,;-16.87,2.64,;-15.55,1.87,;-15.55,.33,;-14.2,2.64,;-12.88,1.87,;-12.88,.33,;-11.55,-.44,;-10.2,.33,;-10.2,1.88,;-11.55,2.65,;-8.87,-.43,;-8.85,-1.97,;-7.37,-2.43,;-6.49,-1.17,;-4.95,-1.14,;-4.2,.21,;-2.66,.23,;-1.91,1.58,;-.37,1.6,;.26,2.99,;1.7,3.41,;2.99,2.48,;3.04,.93,;1.85,-.05,;.28,.29,;.68,1.78,;1.98,1.28,;-7.41,.07,)| Show InChI InChI=1S/C25H29FN6O2/c26-22-5-2-1-4-21(22)23(33)28-19-8-6-18(7-9-19)24-29-30-25(34-24)27-12-3-13-32-17-16-31-14-10-20(32)11-15-31/h1-2,4-9,20H,3,10-17H2,(H,27,30)(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15.8	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay				Bioorg Med Chem Lett 22: 3531-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50413329 (CHEMBL459904) Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccccc1C Show InChI InChI=1S/C20H26N2O/c1-16-8-4-5-9-17(16)10-11-19-14-18(20(23)21(19)2)15-22-12-6-3-7-13-22/h4-5,8-9,18-19H,3,6-7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15.8	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50382052 (CHEMBL2022731) Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCC2)o1 Show InChI InChI=1S/C23H26FN5O2/c24-20-8-2-1-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-3-4-14-29-15-5-6-16-29/h1-2,7-12H,3-6,13-16H2,(H,25,28)(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15.8	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay				Bioorg Med Chem Lett 22: 3531-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206258 (CHEMBL3963469) Show SMILES C1N=C(Nc2nccn3cccc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(21.01,-33.98,;22.38,-33.28,;22.14,-31.76,;23.23,-30.67,;24.72,-31.07,;25.11,-32.55,;26.59,-32.95,;27.68,-31.87,;27.28,-30.38,;28.12,-29.09,;27.16,-27.89,;25.72,-28.44,;25.8,-29.98,;20.62,-31.52,;19.92,-32.89,;19.18,-34.16,;17.91,-33.58,;17.91,-31.66,;18.74,-30.58,;18.74,-32.21,;17.18,-32.89,;16.39,-34.07,)| Show InChI InChI=1S/C16H19N5O/c1-2-13-14(17-5-9-21(13)6-1)19-15-18-10-16(22-15)11-20-7-3-12(16)4-8-20/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H,17,18,19)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50382045 (CHEMBL2022736) Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCCCC2)o1 Show InChI InChI=1S/C25H30FN5O3/c1-33-22-17-18(28-23(32)19-9-3-4-10-21(19)26)11-12-20(22)24-29-30-25(34-24)27-13-5-8-16-31-14-6-2-7-15-31/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H,27,30)(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19.9	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay				Bioorg Med Chem Lett 22: 3531-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530216 (CHEMBL4582201) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1ccc(Cl)nc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6| Show InChI InChI=1S/C12H15ClN2/c13-10-4-3-9(6-15-10)11-7-1-2-8(5-7)12(11)14/h3-4,6-8,11-12H,1-2,5,14H2/t7-,8+,11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in mouse Neuro2a cells co-expressing chaperone NACHO assessed as increase in intracellular Ca2+ leve...				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372 BindingDB Entry DOI: 10.7270/Q2PR80F8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530216 (CHEMBL4582201) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1ccc(Cl)nc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6| Show InChI InChI=1S/C12H15ClN2/c13-10-4-3-9(6-15-10)11-7-1-2-8(5-7)12(11)14/h3-4,6-8,11-12H,1-2,5,14H2/t7-,8+,11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in mouse Neuro2a cells co-expressing chaperone NACHO assessed as increase in intracellular Ca2+ leve...				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372 BindingDB Entry DOI: 10.7270/Q2PR80F8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50572666 (CHEMBL4870678) Show SMILES Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(OC(F)(F)F)cc4)C3)ccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
TBA					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in Flp-In-HEK293 cells co-expressing RIC-3 assessed as potentiation of PNU2829...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113560 BindingDB Entry DOI: 10.7270/Q2959NBW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50413328 (CHEMBL503573) Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccccc1Cl Show InChI InChI=1S/C19H23ClN2O/c1-21-17(10-9-15-7-3-4-8-18(15)20)13-16(19(21)23)14-22-11-5-2-6-12-22/h3-4,7-8,16-17H,2,5-6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50416400 (CHEMBL1210641) Show SMILES Fc1ccc2c(c1)c(nn(CC(=O)NC1Cc3ccccc3C1)c2=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H19ClFN3O2/c26-18-7-5-15(6-8-18)24-22-13-19(27)9-10-21(22)25(32)30(29-24)14-23(31)28-20-11-16-3-1-2-4-17(16)12-20/h1-10,13,20H,11-12,14H2,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50413323 (CHEMBL516818) Show SMILES CN1C(CC(CN2CCCCC2)C1=O)c1cnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C20H24ClN3OS/c1-23-17(11-14(20(23)25)13-24-9-5-2-6-10-24)18-12-22-19(26-18)15-7-3-4-8-16(15)21/h3-4,7-8,12,14,17H,2,5-6,9-11,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50416398 (CHEMBL1210643) Show SMILES O=C(Cc1nc(-c2ccc3OCOc3c2)c2ccccc2n1)NC1Cc2ccccc2C1 Show InChI InChI=1S/C26H21N3O3/c30-25(27-19-11-16-5-1-2-6-17(16)12-19)14-24-28-21-8-4-3-7-20(21)26(29-24)18-9-10-22-23(13-18)32-15-31-22/h1-10,13,19H,11-12,14-15H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50416399 (CHEMBL1210642) Show SMILES O=C(Cc1nc(C2CCCCC2)c2ccsc2n1)NC1Cc2ccccc2C1 Show InChI InChI=1S/C23H25N3OS/c27-21(24-18-12-16-8-4-5-9-17(16)13-18)14-20-25-22(15-6-2-1-3-7-15)19-10-11-28-23(19)26-20/h4-5,8-11,15,18H,1-3,6-7,12-14H2,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50259919 (CHEMBL4080813) Show SMILES C1N=C(Nc2nc3ccccc3s2)NC11CN2CCC1CC2 |t:1,THB:13:14:17.18:20.21,(18.15,-25.42,;19.3,-24.39,;18.67,-22.98,;19.44,-21.65,;20.99,-21.65,;21.89,-22.89,;23.36,-22.41,;24.69,-23.18,;26.03,-22.41,;26.02,-20.86,;24.69,-20.1,;23.36,-20.87,;21.9,-20.39,;17.14,-23.14,;16.82,-24.65,;16.61,-26.03,;14.69,-25.23,;13.29,-26.15,;13.64,-24.76,;15.33,-24,;15.27,-22.36,;14.68,-23.75,)| Show InChI InChI=1S/C16H19N5S/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(20-14)10-21-7-5-11(16)6-8-21/h1-4,11H,5-10H2,(H2,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nAChR (unknown origin) expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 578-581 (2017) Article DOI: 10.1016/j.bmcl.2016.12.014 BindingDB Entry DOI: 10.7270/Q28P62ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	n/a	n/a	28	n/a	n/a	7.4	20
UC San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...				Taylor Research Group (2014) BindingDB Entry DOI: 10.7270/Q2DR2T3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206268 (CHEMBL3891441) Show SMILES Cn1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnc12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(27.73,-20.49,;26.19,-20.57,;25.22,-19.38,;23.78,-19.94,;23.87,-21.48,;22.78,-22.57,;21.28,-22.17,;20.18,-23.28,;20.43,-24.81,;19.04,-25.51,;17.94,-24.41,;17.2,-25.7,;15.91,-25.11,;15.91,-23.17,;16.76,-22.09,;16.76,-23.72,;15.18,-24.41,;14.38,-25.6,;18.65,-23.03,;23.18,-24.07,;24.68,-24.47,;25.77,-23.37,;25.36,-21.87,)| Show InChI InChI=1S/C16H20N6O/c1-21-5-4-12-13(18-10-19-14(12)21)20-15-17-8-16(23-15)9-22-6-2-11(16)3-7-22/h4-5,10-11H,2-3,6-9H2,1H3,(H,17,18,19,20)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50382044 (CHEMBL2022734) Show SMILES O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)c1ccccc1 Show InChI InChI=1S/C24H29N5O2/c30-22(19-9-3-1-4-10-19)26-21-13-11-20(12-14-21)23-27-28-24(31-23)25-15-5-8-18-29-16-6-2-7-17-29/h1,3-4,9-14H,2,5-8,15-18H2,(H,25,28)(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31.6	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay				Bioorg Med Chem Lett 22: 3531-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50413324 (CHEMBL462449) Show SMILES CN1C(CC(CN2CCCCC2)C1=O)c1ccc(s1)-c1ccccc1Cl Show InChI InChI=1S/C21H25ClN2OS/c1-23-18(13-15(21(23)25)14-24-11-5-2-6-12-24)20-10-9-19(26-20)16-7-3-4-8-17(16)22/h3-4,7-10,15,18H,2,5-6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31.6	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50382043 (CHEMBL2022733) Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1 Show InChI InChI=1S/C24H28FN5O2/c25-21-9-3-2-8-20(21)22(31)27-19-12-10-18(11-13-19)23-28-29-24(32-23)26-14-4-7-17-30-15-5-1-6-16-30/h2-3,8-13H,1,4-7,14-17H2,(H,26,29)(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31.6	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay				Bioorg Med Chem Lett 22: 3531-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50416401 (CHEMBL1210640) Show SMILES FC1(F)CCC(CC1)c1nn(CC(=O)NCCOc2ccccc2)c(=O)c2ccccc12 Show InChI InChI=1S/C24H25F2N3O3/c25-24(26)12-10-17(11-13-24)22-19-8-4-5-9-20(19)23(31)29(28-22)16-21(30)27-14-15-32-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	31.6	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					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	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus oocyte				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))	BDBM50259921 (CHEMBL4086223) Show SMILES Cc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)oc2c1 |t:8,THB:19:11:14.15:17.18,(15.03,-19.9,;13.7,-20.67,;13.7,-22.22,;12.37,-22.99,;11.04,-22.22,;9.57,-22.69,;8.67,-21.46,;7.12,-21.45,;6.35,-22.79,;6.98,-24.19,;5.83,-25.22,;4.5,-24.45,;4.29,-25.84,;2.37,-25.03,;.97,-25.96,;1.32,-24.56,;3.02,-23.81,;2.95,-22.17,;2.37,-23.56,;4.82,-22.95,;9.57,-20.2,;11.04,-20.68,;12.36,-19.91,)| Show InChI InChI=1S/C17H21N5O/c1-11-2-3-13-14(8-11)23-16(19-13)20-15-18-9-17(21-15)10-22-6-4-12(17)5-7-22/h2-3,8,12H,4-7,9-10H2,1H3,(H2,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nAChR (unknown origin) expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 578-581 (2017) Article DOI: 10.1016/j.bmcl.2016.12.014 BindingDB Entry DOI: 10.7270/Q28P62ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM91595 (PHA568487) Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2OCCOc2c1 |wU:3.2,THB:2:3:6.7:9.10,(5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;9.22,-2.29,;9.13,-3.83,;10.33,-5.04,;9.09,-5.75,;7.93,-4.59,;6.35,-5.14,;7.23,-4.3,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;4,-.77,)| Show InChI InChI=1S/C16H20N2O3/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14/h1-2,9,11,13H,3-8,10H2,(H,17,19)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	n/a	35	n/a	n/a	7.4	20
UC San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...				Taylor Research Group (2014) BindingDB Entry DOI: 10.7270/Q2DR2T3Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50520725 (CHEMBL4532388) Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2CN3CCC2CC3)cn1 |r,wU:12.12,(68.2,-26.02,;66.86,-25.25,;65.53,-26.02,;64.2,-25.25,;64.2,-23.71,;65.53,-22.94,;66.86,-23.7,;62.87,-22.94,;62.87,-21.39,;61.54,-20.62,;60.22,-21.39,;58.88,-20.62,;57.54,-21.38,;57.54,-22.92,;56.21,-23.68,;54.89,-22.92,;54.89,-21.38,;56.21,-20.6,;57.04,-22.14,;55.82,-22.37,;60.21,-22.93,;61.53,-23.7,)| Show InChI InChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes at holding potential of -90 mV by patch clamp electrophysiological...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50143320 ((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...) Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	39.8	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50382046 (CHEMBL2022737) Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCCCC3)o2)c(Cl)c1 Show InChI InChI=1S/C24H27ClFN5O2/c25-20-16-17(28-22(32)19-8-2-3-9-21(19)26)10-11-18(20)23-29-30-24(33-23)27-12-4-7-15-31-13-5-1-6-14-31/h2-3,8-11,16H,1,4-7,12-15H2,(H,27,30)(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	39.8	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay				Bioorg Med Chem Lett 22: 3531-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50572656 (CHEMBL4859529) Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccc3n(C)ccc3c2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
TBA					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in Flp-In-HEK293 cells co-expressing RIC-3 assessed as potentiation of PNU2829...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113560 BindingDB Entry DOI: 10.7270/Q2959NBW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206240 (CHEMBL3928422) Show SMILES C1N=C(Nc2ncnc3ccsc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(5.4,-25.63,;6.78,-24.93,;6.54,-23.39,;7.64,-22.29,;9.14,-22.69,;9.54,-24.19,;11.04,-24.59,;12.13,-23.49,;11.71,-21.98,;12.55,-20.69,;11.57,-19.5,;10.14,-20.06,;10.23,-21.59,;5.01,-23.14,;4.3,-24.53,;3.56,-25.81,;2.27,-25.23,;2.27,-23.29,;3.11,-22.2,;3.11,-23.84,;1.53,-24.52,;.74,-25.72,)| Show InChI InChI=1S/C15H17N5OS/c1-4-20-5-2-10(1)15(8-20)7-16-14(21-15)19-13-12-11(3-6-22-12)17-9-18-13/h3,6,9-10H,1-2,4-5,7-8H2,(H,16,17,18,19)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					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		n/a	n/a	n/a	n/a	40	n/a	n/a	7.4	20
UC San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...				Taylor Research Group (2014) BindingDB Entry DOI: 10.7270/Q2DR2T3Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50572662 (CHEMBL4876566) Show SMILES Cc1ccc(OCC2CN(C2)C(=O)NCc2ccc3n(C)ccc3c2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
TBA					Assay Description Positive allosteric modulator activity at human alpha7 nAChR expressed in Flp-In-HEK293 cells co-expressing RIC-3 assessed as potentiation of PNU2829...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113560 BindingDB Entry DOI: 10.7270/Q2959NBW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206245 (CHEMBL3907100) Show SMILES Cc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(41.57,-46.49,;40.04,-46.57,;39.07,-45.37,;37.63,-45.93,;37.71,-47.46,;36.63,-48.56,;35.14,-48.16,;34.05,-49.25,;34.29,-50.77,;32.92,-51.47,;31.83,-50.38,;31.1,-51.65,;29.82,-51.07,;29.82,-49.15,;30.66,-48.07,;30.66,-49.69,;29.09,-50.37,;28.3,-51.56,;32.53,-49,;37.02,-50.04,;38.5,-50.44,;39.6,-49.36,;39.2,-47.86,)| Show InChI InChI=1S/C16H20N6O/c1-11-2-3-13-14(18-10-19-22(11)13)20-15-17-8-16(23-15)9-21-6-4-12(16)5-7-21/h2-3,10,12H,4-9H2,1H3,(H,17,18,19,20)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206264 (CHEMBL3957600) Show SMILES C1N=C(Nc2ncnn3cccc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(18.77,-42.77,;20.14,-42.08,;19.91,-40.56,;21,-39.47,;22.48,-39.87,;22.87,-41.35,;24.35,-41.75,;25.45,-40.66,;25.05,-39.17,;25.89,-37.88,;24.92,-36.68,;23.48,-37.23,;23.56,-38.77,;18.39,-40.31,;17.68,-41.68,;16.95,-42.96,;15.67,-42.38,;15.67,-40.46,;16.51,-39.38,;16.51,-41,;14.94,-41.68,;14.15,-42.86,)| Show InChI InChI=1S/C15H18N6O/c1-2-12-13(17-10-18-21(12)5-1)19-14-16-8-15(22-14)9-20-6-3-11(15)4-7-20/h1-2,5,10-11H,3-4,6-9H2,(H,16,17,18,19)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					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	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Agonist activity at 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))	BDBM50206248 (CHEMBL3897030) Show SMILES Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(40.57,-37.22,;39.04,-37.3,;38.07,-36.1,;36.63,-36.65,;36.71,-38.19,;35.64,-39.28,;34.15,-38.88,;33.06,-39.97,;33.3,-41.49,;31.93,-42.19,;30.84,-41.1,;30.1,-42.37,;28.82,-41.79,;28.82,-39.87,;29.66,-38.79,;29.66,-40.42,;28.1,-41.09,;27.31,-42.28,;31.54,-39.73,;36.03,-40.76,;37.51,-41.16,;38.6,-40.08,;38.2,-38.59,)| Show InChI InChI=1S/C15H17BrN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530217 (CHEMBL4550498) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1cccnc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6| Show InChI InChI=1S/C12H16N2/c13-12-9-4-3-8(6-9)11(12)10-2-1-5-14-7-10/h1-2,5,7-9,11-12H,3-4,6,13H2/t8-,9+,11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in mouse Neuro2a cells co-expressing chaperone NACHO assessed as increase in intracellular Ca2+ leve...				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372 BindingDB Entry DOI: 10.7270/Q2PR80F8
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 840 total )  |  Next  |  Last  >>

Jump to: