Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'henderson' and Initial = 'bj'   

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-4/beta-2 (Homo sapiens (Human))	BDBM50369323 (MECAMYLAMINE) Show SMILES CN[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C |r| Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...				Bioorg Med Chem 21: 4730-43 (2013) Article DOI: 10.1016/j.bmc.2013.03.082 BindingDB Entry DOI: 10.7270/Q2V12673
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419792 (CHEMBL1950609) Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCCCOc2ccccc2)C1 |(4.97,6.4,;4.07,5.16,;2.54,5.16,;2.07,3.7,;.53,3.71,;3.31,2.8,;4.55,3.7,;6.01,3.23,;3.31,1.27,;4.64,.5,;4.64,-1.04,;3.3,-1.81,;1.97,-1.04,;1.98,.51,;.65,1.28,;.65,2.82,;-.69,.51,;-2.02,1.29,;-3.35,.52,;-4.68,1.3,;-6.01,.52,;-6.01,-1.02,;-4.68,-1.78,;-4.68,-3.32,;-3.35,-4.09,;-2.02,-3.32,;-.68,-4.09,;.65,-3.32,;1.99,-4.09,;1.98,-5.63,;3.31,-6.4,;4.65,-5.63,;4.64,-4.08,;3.31,-3.32,;-3.35,-1.02,)| Show InChI InChI=1S/C28H34N2O5/c1-21-18-26(31)30(27(21)32)25-14-6-5-13-24(25)28(33)35-20-22-10-9-16-29(19-22)15-7-8-17-34-23-11-3-2-4-12-23/h2-6,11-14,18,22,31-32H,7-10,15-17,19-20H2,1H3	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	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419827 (CHEMBL1950506) Show SMILES C[N+]1(C)CCCC(COC(=O)c2ccccc2-c2ccccc2)C1 Show InChI InChI=1S/C21H26NO2/c1-22(2)14-8-9-17(15-22)16-24-21(23)20-13-7-6-12-19(20)18-10-4-3-5-11-18/h3-7,10-13,17H,8-9,14-16H2,1-2H3/q+1	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	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419851 (CHEMBL1950510) Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C30H32N4O2/c35-30(36-23-25-14-10-20-33(21-25)19-9-13-24-11-3-1-4-12-24)27-17-7-8-18-29(27)34-22-28(31-32-34)26-15-5-2-6-16-26/h1-8,11-12,15-18,22,25H,9-10,13-14,19-21,23H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419806 (CHEMBL1950626) Show SMILES C(CN1CCCC(COCc2cn(Cc3ccccc3-c3ccccc3)nn2)C1)Cc1ccccc1 Show InChI InChI=1S/C31H36N4O/c1-3-11-26(12-4-1)13-9-19-34-20-10-14-27(21-34)24-36-25-30-23-35(33-32-30)22-29-17-7-8-18-31(29)28-15-5-2-6-16-28/h1-8,11-12,15-18,23,27H,9-10,13-14,19-22,24-25H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419789 (CHEMBL1950606) Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCOc2cccc3ccccc23)C1 |(4.98,7.55,;4.08,6.31,;2.54,6.31,;2.07,4.85,;.53,4.85,;3.32,3.94,;4.55,4.85,;6.02,4.38,;3.31,2.42,;4.64,1.65,;4.65,.1,;3.31,-.67,;1.98,.11,;1.98,1.65,;.65,2.43,;.65,3.97,;-.69,1.66,;-2.02,2.43,;-3.36,1.67,;-4.69,2.45,;-6.02,1.67,;-6.02,.13,;-4.69,-.64,;-4.69,-2.18,;-3.35,-2.95,;-2.02,-2.18,;-.68,-2.95,;.64,-2.18,;1.97,-2.94,;1.98,-4.49,;.64,-5.26,;.64,-6.79,;-.68,-7.55,;-2.02,-6.78,;-2.01,-5.25,;-.68,-4.49,;-3.36,.13,)| Show InChI InChI=1S/C30H32N2O5/c1-21-18-28(33)32(29(21)34)26-13-5-4-12-25(26)30(35)37-20-22-8-7-15-31(19-22)16-17-36-27-14-6-10-23-9-2-3-11-24(23)27/h2-6,9-14,18,22,33-34H,7-8,15-17,19-20H2,1H3	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	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419816 (CHEMBL1950637) Show SMILES FC(F)(F)c1ccccc1C(=O)OCC1CCCN(C1)C(=O)CCc1ccccc1 Show InChI InChI=1S/C23H24F3NO3/c24-23(25,26)20-11-5-4-10-19(20)22(29)30-16-18-9-6-14-27(15-18)21(28)13-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2	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	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419607 (CHEMBL1940793) Show SMILES Fc1ccccc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H20FN3O3S/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)26(24,25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...				J Med Chem 54: 8681-92 (2011) Article DOI: 10.1021/jm201294r BindingDB Entry DOI: 10.7270/Q2057H6W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419796 (CHEMBL1950614) Show SMILES C(OCc1ccccc1-c1ccccc1)C1CCCNC1 Show InChI InChI=1S/C19H23NO/c1-2-8-17(9-3-1)19-11-5-4-10-18(19)15-21-14-16-7-6-12-20-13-16/h1-5,8-11,16,20H,6-7,12-15H2	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	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419829 (CHEMBL1950508) Show SMILES [N-]=[N+]=NCCCN1CCCC(COC(=O)c2ccccc2-c2ccccc2)C1 Show InChI InChI=1S/C22H26N4O2/c23-25-24-13-7-15-26-14-6-8-18(16-26)17-28-22(27)21-12-5-4-11-20(21)19-9-2-1-3-10-19/h1-5,9-12,18H,6-8,13-17H2	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	n/a	n/a	4.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419814 (CHEMBL1950635) Show SMILES O=C(CCc1ccccc1)N1CCCC(C1)OC(=O)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H27NO3/c29-26(18-17-21-10-3-1-4-11-21)28-19-9-14-23(20-28)31-27(30)25-16-8-7-15-24(25)22-12-5-2-6-13-22/h1-8,10-13,15-16,23H,9,14,17-20H2	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	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419848 (CHEMBL1950622) Show SMILES Oc1cc(Cc2ccccc2)c(O)n1-c1ccccc1C(=O)OCC1CCCN(CCc2ccccc2)C1 |(-1.18,1.8,;.36,1.79,;.83,3.25,;2.36,3.25,;3.11,4.6,;4.65,4.62,;5.43,3.3,;6.97,3.33,;7.72,4.68,;6.92,6,;5.38,5.97,;2.84,1.79,;4.3,1.32,;1.61,.89,;1.6,-.63,;2.93,-1.4,;2.93,-2.95,;1.6,-3.72,;.27,-2.94,;.27,-1.4,;-1.06,-.63,;-1.05,.91,;-2.39,-1.39,;-3.73,-.62,;-5.06,-1.38,;-6.39,-.61,;-7.72,-1.38,;-7.72,-2.92,;-6.39,-3.69,;-6.39,-5.23,;-5.06,-6,;-3.72,-5.23,;-2.39,-6,;-1.06,-5.23,;-1.06,-3.69,;-2.4,-2.92,;-3.73,-3.69,;-5.06,-2.92,)| Show InChI InChI=1S/C32H34N2O4/c35-30-21-27(20-25-12-5-2-6-13-25)31(36)34(30)29-16-8-7-15-28(29)32(37)38-23-26-14-9-18-33(22-26)19-17-24-10-3-1-4-11-24/h1-8,10-13,15-16,21,26,35-36H,9,14,17-20,22-23H2	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	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419802 (CHEMBL1949684) Show SMILES CCN1CCCC(COC(=O)c2ccccc2-n2c(O)cc(Cc3ccccc3)c2O)C1 |(-5.06,-6,;-6.39,-5.23,;-6.39,-3.69,;-7.72,-2.93,;-7.72,-1.39,;-6.39,-.61,;-5.06,-1.39,;-3.73,-.62,;-2.39,-1.39,;-1.06,-.63,;-1.05,.91,;.27,-1.4,;.27,-2.94,;1.6,-3.72,;2.93,-2.95,;2.93,-1.4,;1.6,-.64,;1.61,.89,;.36,1.79,;-1.18,1.8,;.83,3.25,;2.36,3.25,;3.11,4.6,;4.65,4.62,;5.43,3.3,;6.97,3.33,;7.72,4.67,;6.92,6,;5.38,5.97,;2.84,1.79,;4.3,1.32,;-5.06,-2.93,)| Show InChI InChI=1S/C26H30N2O4/c1-2-27-14-8-11-20(17-27)18-32-26(31)22-12-6-7-13-23(22)28-24(29)16-21(25(28)30)15-19-9-4-3-5-10-19/h3-7,9-10,12-13,16,20,29-30H,2,8,11,14-15,17-18H2,1H3	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	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50149054 (2-(3,3-Dimethyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic...) Show SMILES CC1(C)CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C28H34N2O4/c1-28(2)18-25(31)30(27(28)33)24-15-7-6-14-23(24)26(32)34-20-22-13-9-17-29(19-22)16-8-12-21-10-4-3-5-11-21/h3-7,10-11,14-15,22H,8-9,12-13,16-20H2,1-2H3	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	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50149051 (2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-benzoic ac...) Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C30H30N2O4/c33-28-24-14-4-5-15-25(24)29(34)32(28)27-17-7-6-16-26(27)30(35)36-21-23-13-9-19-31(20-23)18-8-12-22-10-2-1-3-11-22/h1-7,10-11,14-17,23H,8-9,12-13,18-21H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419803 (CHEMBL1950623) Show SMILES Oc1cc(Cc2ccccc2)c(O)n1-c1ccccc1C(=O)OCC1=CCCN(CCCc2ccccc2)C1 |t:27,(-1.18,2.95,;.36,2.95,;.83,4.4,;2.36,4.4,;3.11,5.75,;4.65,5.78,;5.43,4.46,;6.97,4.48,;7.72,5.83,;6.92,7.15,;5.38,7.12,;2.84,2.95,;4.3,2.48,;1.61,2.05,;1.6,.52,;2.93,-.25,;2.93,-1.8,;1.6,-2.56,;.27,-1.79,;.27,-.25,;-1.06,.53,;-1.05,2.07,;-2.39,-.24,;-3.73,.54,;-5.06,-.23,;-6.39,.55,;-7.72,-.23,;-7.72,-1.77,;-6.39,-2.53,;-6.39,-4.07,;-5.06,-4.84,;-3.72,-4.07,;-2.39,-4.84,;-2.4,-6.38,;-1.07,-7.15,;.27,-6.38,;.27,-4.84,;-1.07,-4.07,;-5.06,-1.77,)| Show InChI InChI=1S/C33H34N2O4/c36-31-22-28(21-26-13-5-2-6-14-26)32(37)35(31)30-18-8-7-17-29(30)33(38)39-24-27-16-10-20-34(23-27)19-9-15-25-11-3-1-4-12-25/h1-8,11-14,16-18,22,36-37H,9-10,15,19-21,23-24H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419798 (CHEMBL1950616) Show SMILES Oc1cc(CCc2ccccc2)c(O)n1-c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 |(-1.22,1.68,;.32,1.68,;.79,3.13,;2.33,3.14,;3.11,4.46,;4.65,4.44,;5.44,5.76,;6.97,5.74,;7.76,7.06,;7.01,8.41,;5.46,8.42,;4.68,7.1,;2.8,1.68,;4.26,1.21,;1.57,.78,;1.56,-.75,;2.89,-1.52,;2.89,-3.07,;1.56,-3.83,;.23,-3.06,;.23,-1.52,;-1.1,-.74,;-1.09,.8,;-2.43,-1.51,;-3.76,-.73,;-5.1,-1.5,;-6.43,-.72,;-7.76,-1.5,;-7.76,-3.04,;-6.43,-3.8,;-6.43,-5.34,;-5.1,-6.11,;-3.76,-5.34,;-2.43,-6.11,;-2.44,-7.65,;-1.1,-8.42,;.23,-7.65,;.23,-6.11,;-1.11,-5.34,;-5.1,-3.04,)| Show InChI InChI=1S/C34H38N2O4/c37-32-23-29(20-19-27-13-5-2-6-14-27)33(38)36(32)31-18-8-7-17-30(31)34(39)40-25-28-16-10-22-35(24-28)21-9-15-26-11-3-1-4-12-26/h1-8,11-14,17-18,23,28,37-38H,9-10,15-16,19-22,24-25H2	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	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419842 (CHEMBL465057) Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)OC[C@@H]1C[C@@H](CN(CCCc2ccccc2)C1)c1ccccc1 |r,wU:20.36,18.19,(13.71,-3.22,;12.8,-4.46,;11.26,-4.46,;10.79,-5.93,;9.29,-5.51,;12.04,-6.83,;13.28,-5.93,;14.74,-6.4,;12.04,-8.37,;13.37,-9.13,;13.37,-10.68,;12.03,-11.45,;10.7,-10.67,;10.71,-9.13,;9.38,-8.36,;9.38,-6.82,;8.04,-9.12,;6.71,-8.35,;5.37,-9.12,;4.04,-8.34,;2.71,-9.12,;2.71,-10.66,;4.04,-11.42,;4.04,-12.96,;5.38,-13.73,;6.71,-12.96,;8.04,-13.73,;8.04,-15.27,;9.37,-16.04,;10.7,-15.27,;10.7,-13.72,;9.37,-12.96,;5.37,-10.66,;1.38,-8.35,;1.38,-6.81,;.05,-6.05,;-1.29,-6.82,;-1.28,-8.37,;.06,-9.13,)| Show InChI InChI=1S/C33H36N2O4/c1-24-19-31(36)35(32(24)37)30-17-9-8-16-29(30)33(38)39-23-26-20-28(27-14-6-3-7-15-27)22-34(21-26)18-10-13-25-11-4-2-5-12-25/h2-9,11-12,14-17,19,26,28,36-37H,10,13,18,20-23H2,1H3/t26-,28+/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	n/a	n/a	5.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50149044 (2-Acetylamino-benzoic acid 1-(3-phenyl-propyl)-pip...) Show SMILES CC(=O)Nc1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C24H30N2O3/c1-19(27)25-23-14-6-5-13-22(23)24(28)29-18-21-12-8-16-26(17-21)15-7-11-20-9-3-2-4-10-20/h2-6,9-10,13-14,21H,7-8,11-12,15-18H2,1H3,(H,25,27)	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	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419815 (CHEMBL1950636) Show SMILES O=C(CCc1ccccc1)N1CCCC(COC(=O)c2ccccc2-c2ccccc2)C1 Show InChI InChI=1S/C28H29NO3/c30-27(18-17-22-10-3-1-4-11-22)29-19-9-12-23(20-29)21-32-28(31)26-16-8-7-15-25(26)24-13-5-2-6-14-24/h1-8,10-11,13-16,23H,9,12,17-21H2	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	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419839 (CHEMBL1950522) Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCc2c[nH]c3ccccc23)C1 |(1.63,7.77,;2.54,6.53,;4.07,6.53,;4.54,5.07,;6.01,4.6,;3.31,4.17,;2.07,5.07,;.52,5.08,;3.31,2.64,;4.64,1.87,;4.64,.32,;3.31,-.44,;1.98,.33,;1.98,1.87,;.65,2.65,;.66,4.19,;-.68,1.88,;-2.02,2.65,;-3.35,1.89,;-4.68,2.67,;-6.01,1.89,;-6.01,.35,;-4.68,-.41,;-4.68,-1.95,;-3.35,-2.72,;-3.35,-4.26,;-4.6,-5.17,;-4.12,-6.63,;-2.58,-6.63,;-1.56,-7.77,;-.05,-7.45,;.42,-5.98,;-.61,-4.85,;-2.11,-5.17,;-3.35,.35,)| Show InChI InChI=1S/C28H31N3O4/c1-19-15-26(32)31(27(19)33)25-11-5-3-9-23(25)28(34)35-18-20-7-6-13-30(17-20)14-12-21-16-29-24-10-4-2-8-22(21)24/h2-5,8-11,15-16,20,29,32-33H,6-7,12-14,17-18H2,1H3	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	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419817 (CHEMBL1950638) Show SMILES O=C(CCc1ccccc1)N1CCC(COC(=O)c2ccccc2-c2ccccc2)CC1 Show InChI InChI=1S/C28H29NO3/c30-27(16-15-22-9-3-1-4-10-22)29-19-17-23(18-20-29)21-32-28(31)26-14-8-7-13-25(26)24-11-5-2-6-12-24/h1-14,23H,15-21H2	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	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437522 (CHEMBL2407120) Show SMILES Cc1cccc(NC(=O)c2ccc(OCC=C)cc2)n1 Show InChI InChI=1S/C16H16N2O2/c1-3-11-20-14-9-7-13(8-10-14)16(19)18-15-6-4-5-12(2)17-15/h3-10H,1,11H2,2H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...				Bioorg Med Chem 21: 4730-43 (2013) Article DOI: 10.1016/j.bmc.2013.03.082 BindingDB Entry DOI: 10.7270/Q2V12673
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419815 (CHEMBL1950636) Show SMILES O=C(CCc1ccccc1)N1CCCC(COC(=O)c2ccccc2-c2ccccc2)C1 Show InChI InChI=1S/C28H29NO3/c30-27(18-17-22-10-3-1-4-11-22)29-19-9-12-23(20-29)21-32-28(31)26-16-8-7-15-25(26)24-13-5-2-6-14-24/h1-8,10-11,13-16,23H,9,12,17-21H2	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	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50382408 (CHEMBL2022554) Show SMILES O[C@]1(CC(=O)c2ccco2)C(=O)N(CC=C)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C17H14ClNO4/c1-2-7-19-13-6-5-11(18)9-12(13)17(22,16(19)21)10-14(20)15-4-3-8-23-15/h2-6,8-9,22H,1,7,10H2/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in HEK tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium accu...				ACS Med Chem Lett 2: 855-860 (2011) Article DOI: 10.1021/ml2001714 BindingDB Entry DOI: 10.7270/Q2T43V38
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50149039 (Biphenyl-4-carboxylic acid 1-(3-phenyl-propyl)-pip...) Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H31NO2/c30-28(27-17-15-26(16-18-27)25-13-5-2-6-14-25)31-22-24-12-8-20-29(21-24)19-7-11-23-9-3-1-4-10-23/h1-6,9-10,13-18,24H,7-8,11-12,19-22H2	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	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419830 (CHEMBL1950509) Show SMILES O=C(OCC1CCCN(CCCn2cc(nn2)-c2ccccc2)C1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C30H32N4O2/c35-30(28-17-8-7-16-27(28)25-12-3-1-4-13-25)36-23-24-11-9-18-33(21-24)19-10-20-34-22-29(31-32-34)26-14-5-2-6-15-26/h1-8,12-17,22,24H,9-11,18-21,23H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419821 (CHEMBL1950639) Show SMILES O=C(OC1CCCN(CCCc2ccccc2)C1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H29NO2/c29-27(26-18-8-7-17-25(26)23-14-5-2-6-15-23)30-24-16-10-20-28(21-24)19-9-13-22-11-3-1-4-12-22/h1-8,11-12,14-15,17-18,24H,9-10,13,16,19-21H2	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	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419601 (CHEMBL1940786) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc3[nH]ncc3c2)CC1 Show InChI InChI=1S/C19H20FN5O3S/c20-15-1-4-17(5-2-15)29(27,28)25-9-7-24(8-10-25)13-19(26)22-16-3-6-18-14(11-16)12-21-23-18/h1-6,11-12H,7-10,13H2,(H,21,23)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...				J Med Chem 54: 8681-92 (2011) Article DOI: 10.1021/jm201294r BindingDB Entry DOI: 10.7270/Q2057H6W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419809 (CHEMBL1950630) Show SMILES O=C(Nc1ccccc1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H15NO/c21-19(20-16-11-5-2-6-12-16)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,20,21)	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	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419850 (CHEMBL1950505) Show SMILES CN1CCCC(COC(=O)c2ccccc2-c2ccccc2)C1 Show InChI InChI=1S/C20H23NO2/c1-21-13-7-8-16(14-21)15-23-20(22)19-12-6-5-11-18(19)17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3	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	n/a	n/a	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419826 (CHEMBL1950504) Show SMILES O=C(OCC1CCCNC1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H21NO2/c21-19(22-14-15-7-6-12-20-13-15)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-5,8-11,15,20H,6-7,12-14H2	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	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419841 (CHEMBL1950600) Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)CCC1CCCN(CCCCOc2ccc(cc2)C(F)(F)F)C1 |(31.43,-32.36,;30.53,-33.6,;29,-33.6,;28.52,-35.06,;26.98,-35.05,;29.77,-35.96,;31,-35.06,;32.47,-35.53,;29.77,-37.49,;31.1,-38.26,;31.1,-39.81,;29.76,-40.57,;28.43,-39.8,;28.44,-38.26,;27.11,-37.49,;27.11,-35.95,;25.77,-38.25,;24.44,-37.48,;23.11,-38.24,;21.78,-37.47,;20.45,-38.24,;20.45,-39.78,;21.78,-40.55,;21.78,-42.09,;23.11,-42.86,;24.44,-42.09,;25.78,-42.86,;27.11,-42.09,;28.45,-42.86,;28.44,-44.4,;29.77,-45.17,;31.11,-44.4,;31.1,-42.85,;29.77,-42.09,;32.44,-45.17,;32.44,-46.71,;33.77,-44.39,;33.76,-45.93,;23.11,-39.78,)| Show InChI InChI=1S/C30H35F3N2O4/c1-21-19-28(37)35(29(21)38)26-9-3-2-8-25(26)27(36)15-10-22-7-6-17-34(20-22)16-4-5-18-39-24-13-11-23(12-14-24)30(31,32)33/h2-3,8-9,11-14,19,22,37-38H,4-7,10,15-18,20H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419791 (CHEMBL1950608) Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCOc2cccc(c2)-c2ccccc2)C1 |(4.97,8.71,;4.07,7.46,;2.54,7.46,;2.07,6.01,;.53,6.01,;3.31,5.1,;4.55,6.01,;6.01,5.53,;3.31,3.58,;4.64,2.81,;4.64,1.26,;3.3,.5,;1.97,1.27,;1.98,2.81,;.65,3.59,;.65,5.13,;-.69,2.82,;-2.02,3.59,;-3.35,2.83,;-4.68,3.61,;-6.01,2.83,;-6.01,1.29,;-4.68,.53,;-4.68,-1.01,;-3.35,-1.78,;-2.02,-1.01,;-.68,-1.78,;.64,-1.02,;1.97,-1.78,;1.98,-3.33,;.64,-4.1,;-.69,-3.33,;.64,-5.63,;-.7,-6.4,;-.7,-7.94,;.64,-8.71,;1.97,-7.93,;1.97,-6.4,;-3.35,1.29,)| Show InChI InChI=1S/C32H34N2O5/c1-23-19-30(35)34(31(23)36)29-15-6-5-14-28(29)32(37)39-22-24-9-8-16-33(21-24)17-18-38-27-13-7-12-26(20-27)25-10-3-2-4-11-25/h2-7,10-15,19-20,24,35-36H,8-9,16-18,21-22H2,1H3	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	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419790 (CHEMBL1950607) Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCOc2ccc3ccccc3c2)C1 |(4.98,6.4,;4.07,5.16,;2.54,5.16,;2.07,3.7,;.53,3.71,;3.31,2.8,;4.55,3.7,;6.01,3.23,;3.31,1.27,;4.64,.5,;4.64,-1.04,;3.3,-1.81,;1.97,-1.04,;1.98,.51,;.65,1.28,;.65,2.82,;-.69,.51,;-2.02,1.29,;-3.35,.52,;-4.68,1.3,;-6.01,.52,;-6.01,-1.02,;-4.68,-1.78,;-4.68,-3.32,;-3.35,-4.09,;-2.02,-3.32,;-.68,-4.09,;-.69,-5.63,;.64,-6.4,;1.97,-5.63,;3.3,-6.4,;4.64,-5.63,;4.64,-4.08,;3.3,-3.32,;1.97,-4.09,;.64,-3.32,;-3.35,-1.02,)| Show InChI InChI=1S/C30H32N2O5/c1-21-17-28(33)32(29(21)34)27-11-5-4-10-26(27)30(35)37-20-22-7-6-14-31(19-22)15-16-36-25-13-12-23-8-2-3-9-24(23)18-25/h2-5,8-13,17-18,22,33-34H,6-7,14-16,19-20H2,1H3	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	n/a	n/a	7.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419808 (CHEMBL1950629) Show SMILES O=C(NCc1ccccc1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C20H17NO/c22-20(21-15-16-9-3-1-4-10-16)19-14-8-7-13-18(19)17-11-5-2-6-12-17/h1-14H,15H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437521 (CHEMBL2407121) Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-11-20-14-9-7-13(8-10-14)16(19)18-15-6-4-5-12(2)17-15/h4-10H,3,11H2,1-2H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...				Bioorg Med Chem 21: 4730-43 (2013) Article DOI: 10.1016/j.bmc.2013.03.082 BindingDB Entry DOI: 10.7270/Q2V12673
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419834 (CHEMBL1950515) Show SMILES CC(C)N1CC(OC(=O)c2ccccc2-n2c(O)cc(C)c2O)C2CC1C1OC(C)(C)OC21 |(23.43,-26.97,;22.14,-27.8,;22.21,-29.34,;20.77,-27.09,;20.81,-25.51,;19.59,-24.48,;19.59,-22.94,;20.92,-22.17,;20.91,-20.63,;22.24,-22.95,;22.21,-24.49,;23.53,-25.28,;24.88,-24.52,;24.89,-22.98,;23.57,-22.2,;23.59,-20.67,;22.35,-19.75,;20.81,-19.75,;22.84,-18.29,;24.38,-18.3,;25.29,-17.07,;24.84,-19.77,;26.3,-20.26,;18.04,-24.8,;19.33,-26.22,;19.5,-28.04,;17.95,-27.65,;16.77,-28.71,;15.4,-27.9,;14.78,-29.28,;13.97,-27.44,;15.74,-26.36,;17.32,-26.2,)| Show InChI InChI=1S/C25H32N2O6/c1-13(2)26-12-19(16-11-18(26)22-21(16)32-25(4,5)33-22)31-24(30)15-8-6-7-9-17(15)27-20(28)10-14(3)23(27)29/h6-10,13,16,18-19,21-22,28-29H,11-12H2,1-5H3	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	n/a	n/a	7.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50149043 (2-Trifluoromethyl-benzoic acid 1-(3-phenyl-propyl)...) Show SMILES FC(F)(F)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C23H26F3NO2/c24-23(25,26)21-13-5-4-12-20(21)22(28)29-17-19-11-7-15-27(16-19)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,12-13,19H,6-7,10-11,14-17H2	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	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50149050 (2-Methoxy-benzoic acid 1-(3-phenyl-propyl)-piperid...) Show SMILES COc1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C23H29NO3/c1-26-22-14-6-5-13-21(22)23(25)27-18-20-12-8-16-24(17-20)15-7-11-19-9-3-2-4-10-19/h2-6,9-10,13-14,20H,7-8,11-12,15-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50149043 (2-Trifluoromethyl-benzoic acid 1-(3-phenyl-propyl)...) Show SMILES FC(F)(F)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C23H26F3NO2/c24-23(25,26)21-13-5-4-12-20(21)22(28)29-17-19-11-7-15-27(16-19)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,12-13,19H,6-7,10-11,14-17H2	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	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419609 (CHEMBL1940795) Show SMILES Fc1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C18H19F2N3O3S/c19-14-5-7-15(8-6-14)21-18(24)13-22-9-11-23(12-10-22)27(25,26)17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)	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	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...				J Med Chem 54: 8681-92 (2011) Article DOI: 10.1021/jm201294r BindingDB Entry DOI: 10.7270/Q2057H6W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419605 (CHEMBL1940791) Show SMILES Fc1ccccc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H19F2N3O3S/c19-14-5-1-3-7-16(14)21-18(24)13-22-9-11-23(12-10-22)27(25,26)17-8-4-2-6-15(17)20/h1-8H,9-13H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...				J Med Chem 54: 8681-92 (2011) Article DOI: 10.1021/jm201294r BindingDB Entry DOI: 10.7270/Q2057H6W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419805 (CHEMBL1950625) Show SMILES O=C(OCC1CCN(CCCc2ccccc2)CC1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C28H31NO2/c30-28(27-16-8-7-15-26(27)25-13-5-2-6-14-25)31-22-24-17-20-29(21-18-24)19-9-12-23-10-3-1-4-11-23/h1-8,10-11,13-16,24H,9,12,17-22H2	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	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419805 (CHEMBL1950625) Show SMILES O=C(OCC1CCN(CCCc2ccccc2)CC1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C28H31NO2/c30-28(27-16-8-7-15-26(27)25-13-5-2-6-14-25)31-22-24-17-20-29(21-18-24)19-9-12-23-10-3-1-4-11-23/h1-8,10-11,13-16,24H,9,12,17-22H2	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	n/a	n/a	8.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419799 (CHEMBL1950618) Show SMILES COc1ccc(OCCCCCN2CCCC(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)C2)cc1OC |(.65,-8.75,;1.98,-7.98,;1.98,-6.44,;.65,-5.67,;.65,-4.13,;1.99,-3.36,;1.99,-1.82,;.65,-1.05,;-.68,-1.82,;-2.02,-1.05,;-3.35,-1.82,;-4.68,-1.05,;-4.68,.49,;-6.01,1.25,;-6.01,2.79,;-4.68,3.57,;-3.35,2.79,;-2.02,3.56,;-.69,2.78,;.65,3.55,;.65,5.09,;1.98,2.77,;1.97,1.23,;3.3,.46,;4.64,1.22,;4.64,2.77,;3.31,3.54,;3.31,5.07,;2.07,5.97,;.53,5.97,;2.54,7.42,;4.07,7.43,;4.86,8.75,;4.55,5.97,;6.01,5.5,;-3.35,1.25,;3.31,-4.12,;3.32,-5.66,;4.66,-6.42,;4.66,-7.96,)| Show InChI InChI=1S/C31H40N2O7/c1-22-18-29(34)33(30(22)35)26-12-6-5-11-25(26)31(36)40-21-23-10-9-16-32(20-23)15-7-4-8-17-39-24-13-14-27(37-2)28(19-24)38-3/h5-6,11-14,18-19,23,34-35H,4,7-10,15-17,20-21H2,1-3H3	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	n/a	n/a	8.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419800 (CHEMBL1950619) Show SMILES COc1cccc(OCCCCCN2CCCC(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)C2)c1OC |(4.66,-8.36,;4.66,-6.82,;3.32,-6.05,;1.98,-6.83,;.65,-6.06,;.65,-4.52,;1.99,-3.75,;1.99,-2.21,;.65,-1.44,;-.68,-2.21,;-2.02,-1.44,;-3.35,-2.21,;-4.68,-1.44,;-4.68,.1,;-6.01,.86,;-6.01,2.4,;-4.68,3.18,;-3.35,2.4,;-2.02,3.16,;-.69,2.39,;.65,3.16,;.65,4.7,;1.98,2.38,;1.97,.84,;3.3,.07,;4.64,.83,;4.64,2.38,;3.31,3.15,;3.31,4.67,;2.07,5.58,;.53,5.58,;2.54,7.03,;4.07,7.03,;4.86,8.36,;4.55,5.58,;6.01,5.1,;-3.35,.86,;3.31,-4.52,;4.64,-3.74,;5.98,-4.51,)| Show InChI InChI=1S/C31H40N2O7/c1-22-19-28(34)33(30(22)35)25-13-6-5-12-24(25)31(36)40-21-23-11-10-17-32(20-23)16-7-4-8-18-39-27-15-9-14-26(37-2)29(27)38-3/h5-6,9,12-15,19,23,34-35H,4,7-8,10-11,16-18,20-21H2,1-3H3	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	n/a	n/a	8.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419853 (CHEMBL1950521) Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)OC[C@@H]1CCCN(CCCc2ccccc2)C1 |r,wU:18.19,(4.98,6.41,;4.07,5.16,;2.54,5.16,;2.07,3.7,;.52,3.71,;3.31,2.8,;4.54,3.7,;6.01,3.23,;3.31,1.27,;4.64,.5,;4.64,-1.05,;3.31,-1.81,;1.98,-1.04,;1.98,.5,;.65,1.28,;.66,2.82,;-.68,.51,;-2.02,1.29,;-3.35,.52,;-4.68,1.3,;-6.01,.52,;-6.01,-1.02,;-4.68,-1.78,;-4.68,-3.32,;-3.35,-4.09,;-2.01,-3.32,;-.68,-4.09,;-.69,-5.64,;.65,-6.41,;1.98,-5.64,;1.98,-4.09,;.64,-3.32,;-3.35,-1.02,)| Show InChI InChI=1S/C27H32N2O4/c1-20-17-25(30)29(26(20)31)24-14-6-5-13-23(24)27(32)33-19-22-12-8-16-28(18-22)15-7-11-21-9-3-2-4-10-21/h2-6,9-10,13-14,17,22,30-31H,7-8,11-12,15-16,18-19H2,1H3/t22-/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	n/a	n/a	8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419847 (CHEMBL1950617) Show SMILES CC(C)N1CCCC(COC(=O)c2ccccc2-n2c(O)cc(Cc3ccccc3)c2O)C1 |(-5.08,-5.94,;-6.41,-5.17,;-7.75,-5.94,;-6.41,-3.63,;-7.74,-2.87,;-7.74,-1.33,;-6.41,-.55,;-5.08,-1.33,;-3.75,-.56,;-2.42,-1.33,;-1.08,-.57,;-1.08,.97,;.25,-1.34,;.24,-2.88,;1.57,-3.66,;2.91,-2.89,;2.91,-1.34,;1.58,-.58,;1.58,.95,;.34,1.85,;-1.2,1.86,;.81,3.31,;2.34,3.31,;3.13,4.63,;4.67,4.62,;5.42,3.27,;6.96,3.25,;7.75,4.58,;6.98,5.92,;5.45,5.94,;2.82,1.85,;4.28,1.38,;-5.08,-2.87,)| Show InChI InChI=1S/C27H32N2O4/c1-19(2)28-14-8-11-21(17-28)18-33-27(32)23-12-6-7-13-24(23)29-25(30)16-22(26(29)31)15-20-9-4-3-5-10-20/h3-7,9-10,12-13,16,19,21,30-31H,8,11,14-15,17-18H2,1-2H3	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	n/a	n/a	8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419828 (CHEMBL1950507) Show SMILES O=C(CCC1CCCNC1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C20H23NO/c22-20(13-12-16-7-6-14-21-15-16)19-11-5-4-10-18(19)17-8-2-1-3-9-17/h1-5,8-11,16,21H,6-7,12-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair

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