Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50000738   

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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259938 (CHEMBL4104136) Show SMILES C1N=C(Nc2nc3ccccc3o2)NC11CN2CCC1CC2 |t:1,THB:13:14:17.18:20.21,(44.73,-15.9,;45.88,-14.88,;45.25,-13.47,;46.02,-12.13,;47.57,-12.13,;48.47,-13.37,;49.94,-12.9,;51.27,-13.67,;52.61,-12.9,;52.6,-11.35,;51.27,-10.59,;49.94,-11.35,;48.48,-10.88,;43.72,-13.63,;43.4,-15.13,;43.19,-16.52,;41.27,-15.71,;39.87,-16.64,;40.21,-15.24,;41.91,-14.49,;41.85,-12.85,;41.26,-14.24,)| Show InChI InChI=1S/C16H19N5O/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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259915 (CHEMBL4063687) Show SMILES Clc1cccc2sc(NC3=NCC4(CN5CCC4CC5)N3)nc12 |t:9,THB:20:12:15.16:18.19,(25.79,-33.21,;25.79,-31.67,;27.13,-30.9,;27.12,-29.35,;25.79,-28.58,;24.46,-29.35,;23,-28.88,;22.09,-30.14,;20.55,-30.14,;19.78,-31.47,;20.4,-32.87,;19.26,-33.9,;17.93,-33.13,;17.72,-34.51,;15.8,-33.71,;14.4,-34.63,;14.75,-33.24,;16.45,-32.49,;16.38,-30.85,;15.8,-32.24,;18.25,-31.63,;22.99,-31.37,;24.46,-30.9,)| Show InChI InChI=1S/C16H18ClN5S/c17-11-2-1-3-12-13(11)19-15(23-12)20-14-18-8-16(21-14)9-22-6-4-10(16)5-7-22/h1-3,10H,4-9H2,(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259914 (CHEMBL4060728) Show SMILES CN1C(Nc2nc3ccccc3s2)=NCC11CN2CCC1CC2 |c:14,THB:1:15:18.19:21.22,(31.55,-31,;32.58,-32.15,;34.11,-31.99,;34.88,-30.66,;36.42,-30.66,;37.33,-31.89,;38.79,-31.42,;40.13,-32.19,;41.46,-31.42,;41.46,-29.87,;40.12,-29.1,;38.79,-29.87,;37.33,-29.4,;34.74,-33.39,;33.59,-34.42,;32.26,-33.65,;32.05,-35.04,;30.14,-34.23,;28.74,-35.16,;29.09,-33.76,;30.78,-33.01,;30.72,-31.37,;30.13,-32.76,)| Show InChI InChI=1S/C17H21N5S/c1-21-15(20-16-19-13-4-2-3-5-14(13)23-16)18-10-17(21)11-22-8-6-12(17)7-9-22/h2-5,12H,6-11H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259947 (CHEMBL4085299) Show SMILES COc1ccc2sc(NC3=NCC4(CN5CCC4CC5)N3)nc2c1 |t:9,THB:20:12:15.16:18.19,(15.81,-30.95,;14.47,-31.72,;13.14,-30.95,;13.14,-29.4,;11.8,-28.64,;10.47,-29.41,;9.01,-28.94,;8.1,-30.19,;6.56,-30.19,;5.79,-31.52,;6.42,-32.93,;5.27,-33.96,;3.94,-33.19,;3.73,-34.57,;1.82,-33.76,;.42,-34.69,;.77,-33.3,;2.46,-32.54,;2.4,-30.91,;1.81,-32.3,;4.26,-31.68,;9.01,-31.43,;10.47,-30.95,;11.81,-31.73,)| Show InChI InChI=1S/C17H21N5OS/c1-23-12-2-3-14-13(8-12)19-16(24-14)20-15-18-9-17(21-15)10-22-6-4-11(17)5-7-22/h2-3,8,11H,4-7,9-10H2,1H3,(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259936 (CHEMBL4077622) Show SMILES Clc1cnc(NC2=NCC3(CN4CCC3CC4)N2)nc1 |t:6,THB:17:9:12.13:15.16,(25.28,-3.2,;23.74,-3.2,;22.97,-4.53,;21.43,-4.53,;20.67,-3.2,;19.13,-3.19,;18.36,-4.53,;18.98,-5.93,;17.84,-6.96,;16.5,-6.19,;16.3,-7.58,;14.38,-6.77,;12.98,-7.7,;13.33,-6.3,;15.02,-5.55,;14.96,-3.91,;14.37,-5.3,;16.83,-4.69,;21.43,-1.86,;22.97,-1.86,)| Show InChI InChI=1S/C13H17ClN6/c14-10-5-15-11(16-6-10)18-12-17-7-13(19-12)8-20-3-1-9(13)2-4-20/h5-6,9H,1-4,7-8H2,(H2,15,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259937 (CHEMBL4081582) Show SMILES Clc1ccc(NC2=NCC3(CN4CCC3CC4)N2)nc1 |t:6,THB:17:9:12.13:15.16,(12.67,-3.32,;11.13,-3.32,;10.35,-4.66,;8.81,-4.66,;8.05,-3.32,;6.51,-3.32,;5.74,-4.65,;6.36,-6.06,;5.22,-7.09,;3.88,-6.32,;3.68,-7.7,;1.76,-6.9,;.36,-7.82,;.71,-6.43,;2.4,-5.68,;2.34,-4.04,;1.75,-5.43,;4.21,-4.81,;8.81,-1.99,;10.35,-1.98,)| Show InChI InChI=1S/C14H18ClN5/c15-11-1-2-12(16-7-11)18-13-17-8-14(19-13)9-20-5-3-10(14)4-6-20/h1-2,7,10H,3-6,8-9H2,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259944 (CHEMBL4076554) Show SMILES C1N=C(Nc2cnc3ccccc3n2)NC11CN2CCC1CC2 |t:1,THB:14:15:18.19:21.22,(5.8,-16.68,;6.95,-15.65,;6.32,-14.24,;7.09,-12.91,;8.64,-12.91,;9.4,-14.25,;10.94,-14.25,;11.71,-12.91,;13.25,-12.91,;14.02,-11.58,;13.24,-10.23,;11.7,-10.24,;10.94,-11.57,;9.4,-11.58,;4.79,-14.4,;4.47,-15.91,;4.26,-17.29,;2.34,-16.49,;.94,-17.41,;1.29,-16.02,;2.99,-15.26,;2.92,-13.63,;2.34,-15.02,)| Show InChI InChI=1S/C17H20N6/c1-2-4-14-13(3-1)18-9-15(20-14)21-16-19-10-17(22-16)11-23-7-5-12(17)6-8-23/h1-4,9,12H,5-8,10-11H2,(H2,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259945 (CHEMBL4093984) Show SMILES Clc1cnc(NC2=NCC3(CN4CCC3CC4)N2)cn1 |t:6,THB:17:9:12.13:15.16,(39.13,-2.88,;37.59,-2.88,;36.81,-1.53,;35.27,-1.54,;34.51,-2.87,;32.97,-2.87,;32.19,-4.21,;32.82,-5.62,;31.67,-6.64,;30.34,-5.87,;30.13,-7.26,;28.21,-6.45,;26.81,-7.38,;27.16,-5.99,;28.85,-5.23,;28.79,-3.59,;28.2,-4.98,;30.66,-4.37,;35.27,-4.21,;36.81,-4.21,)| Show InChI InChI=1S/C13H17ClN6/c14-10-5-16-11(6-15-10)18-12-17-7-13(19-12)8-20-3-1-9(13)2-4-20/h5-6,9H,1-4,7-8H2,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259925 (CHEMBL4077127) Show SMILES C1N=C(Nc2cc(ncn2)-n2ccnc2)NC11CN2CCC1CC2 |t:1,THB:15:16:19.20:22.23,(57.81,-6,;58.96,-4.97,;58.33,-3.56,;59.11,-2.23,;60.65,-2.23,;61.41,-3.57,;62.95,-3.57,;63.72,-2.23,;62.95,-.89,;61.41,-.9,;63.72,-4.9,;63.09,-6.31,;64.24,-7.34,;65.57,-6.57,;65.25,-5.07,;56.8,-3.72,;56.48,-5.23,;56.27,-6.61,;54.36,-5.81,;52.96,-6.73,;53.3,-5.34,;55,-4.59,;54.94,-2.95,;54.35,-4.34,)| Show InChI InChI=1S/C16H20N8/c1-4-23-5-2-12(1)16(9-23)8-18-15(22-16)21-13-7-14(20-10-19-13)24-6-3-17-11-24/h3,6-7,10-12H,1-2,4-5,8-9H2,(H2,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259946 (CHEMBL4069408) Show SMILES CCN1C(Nc2nc3ccc(OC)cc3s2)=NCC11CN2CCC1CC2 |c:17,THB:2:18:21.22:24.25,(5.54,-38.61,;5.06,-40.07,;6.09,-41.22,;7.62,-41.06,;8.39,-39.72,;9.93,-39.73,;10.84,-40.96,;12.3,-40.49,;13.63,-41.26,;14.97,-40.49,;14.97,-38.94,;16.29,-38.16,;16.29,-36.62,;13.63,-38.17,;12.3,-38.94,;10.84,-38.47,;8.24,-42.46,;7.1,-43.49,;5.77,-42.72,;5.56,-44.1,;3.65,-43.3,;2.25,-44.22,;2.59,-42.83,;4.29,-42.08,;4.23,-40.44,;3.64,-41.83,)| Show InChI InChI=1S/C19H25N5OS/c1-3-24-17(20-11-19(24)12-23-8-6-13(19)7-9-23)22-18-21-15-5-4-14(25-2)10-16(15)26-18/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259913 (CHEMBL4082605) Show SMILES CN1C(Nc2nc3ccc(Cl)nc3s2)=NCC11CN2CCC1CC2 |c:15,THB:1:16:19.20:22.23,(45.22,-30.28,;46.25,-31.42,;47.77,-31.26,;48.55,-29.93,;50.08,-29.93,;50.99,-31.17,;52.45,-30.69,;53.78,-31.46,;55.12,-30.69,;55.12,-29.14,;56.45,-28.37,;53.78,-28.38,;52.45,-29.15,;50.99,-28.68,;48.4,-32.67,;47.25,-33.69,;45.93,-32.92,;45.72,-34.31,;43.8,-33.5,;42.4,-34.43,;42.75,-33.04,;44.44,-32.28,;44.38,-30.65,;43.8,-32.03,)| Show InChI InChI=1S/C16H19ClN6S/c1-22-14(18-8-16(22)9-23-6-4-10(16)5-7-23)21-15-19-11-2-3-12(17)20-13(11)24-15/h2-3,10H,4-9H2,1H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259924 (CHEMBL4096397) Show SMILES C1N=C(Nc2ncnc3ccccc23)NC11CN2CCC1CC2 |t:1,THB:14:15:18.19:21.22,(17.8,-17.06,;18.95,-16.03,;18.32,-14.62,;19.1,-13.29,;20.64,-13.29,;21.41,-11.95,;22.95,-11.95,;23.73,-13.29,;22.95,-14.63,;23.71,-15.96,;22.95,-17.28,;21.4,-17.28,;20.64,-15.95,;21.41,-14.62,;16.79,-14.78,;16.47,-16.29,;16.26,-17.68,;14.34,-16.87,;12.93,-17.8,;13.28,-16.4,;14.98,-15.65,;14.92,-14.01,;14.33,-15.4,)| Show InChI InChI=1S/C17H20N6/c1-2-4-14-13(3-1)15(20-11-19-14)21-16-18-9-17(22-16)10-23-7-5-12(17)6-8-23/h1-4,11-12H,5-10H2,(H2,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259918 (CHEMBL4105038) Show SMILES Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2c1 |t:8,THB:19:11:14.15:17.18,(39.26,-19.74,;37.93,-20.51,;37.93,-22.06,;36.6,-22.83,;35.27,-22.06,;33.8,-22.54,;32.9,-21.3,;31.35,-21.3,;30.58,-22.63,;31.2,-24.04,;30.06,-25.07,;28.73,-24.3,;28.52,-25.68,;26.6,-24.87,;25.2,-25.8,;25.54,-24.41,;27.24,-23.65,;27.18,-22.01,;26.59,-23.4,;29.05,-22.79,;33.8,-20.04,;35.27,-20.52,;36.6,-19.75,)| Show InChI InChI=1S/C16H18ClN5S/c17-11-1-2-12-13(7-11)23-15(19-12)20-14-18-8-16(21-14)9-22-5-3-10(16)4-6-22/h1-2,7,10H,3-6,8-9H2,(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259916 (CHEMBL4067446) Show SMILES Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2n1 |t:8,THB:19:11:14.15:17.18,(67.08,-18.29,;65.75,-19.06,;65.75,-20.61,;64.42,-21.38,;63.09,-20.61,;61.62,-21.08,;60.72,-19.84,;59.17,-19.84,;58.4,-21.18,;59.03,-22.58,;57.88,-23.61,;56.55,-22.84,;56.34,-24.23,;54.42,-23.42,;53.02,-24.35,;53.37,-22.95,;55.07,-22.2,;55,-20.56,;54.42,-21.95,;56.87,-21.34,;61.62,-18.59,;63.09,-19.07,;64.41,-18.3,)| Show InChI InChI=1S/C15H17ClN6S/c16-11-2-1-10-12(19-11)23-14(18-10)20-13-17-7-15(21-13)8-22-5-3-9(15)4-6-22/h1-2,9H,3-8H2,(H2,17,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259917 (CHEMBL4088682) Show SMILES COc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2c1 |t:9,THB:20:12:15.16:18.19,(52.97,-17.62,;52.98,-19.16,;51.65,-19.94,;51.65,-21.48,;50.32,-22.25,;48.99,-21.48,;47.52,-21.96,;46.61,-20.72,;45.07,-20.72,;44.3,-22.05,;44.92,-23.46,;43.78,-24.49,;42.44,-23.72,;42.23,-25.11,;40.31,-24.3,;38.91,-25.23,;39.26,-23.83,;40.96,-23.08,;40.89,-21.44,;40.31,-22.83,;42.77,-22.21,;47.52,-19.46,;48.99,-19.94,;50.32,-19.17,)| Show InChI InChI=1S/C17H21N5OS/c1-23-12-2-3-13-14(8-12)24-16(19-13)20-15-18-9-17(21-15)10-22-6-4-11(17)5-7-22/h2-3,8,11H,4-7,9-10H2,1H3,(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259923 (CHEMBL4078355) Show SMILES Clc1ccc2c(NC3=NCC4(CN5CCC4CC5)N3)ncnn12 |t:7,THB:18:10:13.14:16.17,(37.59,-16.14,;36.12,-15.66,;34.88,-16.57,;33.64,-15.66,;34.11,-14.2,;33.35,-12.86,;31.81,-12.86,;31.04,-14.19,;31.66,-15.6,;30.51,-16.63,;29.18,-15.86,;28.97,-17.24,;27.05,-16.44,;25.65,-17.37,;26,-15.97,;27.7,-15.21,;27.63,-13.57,;27.05,-14.97,;29.5,-14.35,;34.11,-11.52,;35.66,-11.53,;36.43,-12.87,;35.65,-14.2,)| Show InChI InChI=1S/C15H18ClN7/c16-12-2-1-11-13(18-9-19-23(11)12)20-14-17-7-15(21-14)8-22-5-3-10(15)4-6-22/h1-2,9-10H,3-8H2,(H2,17,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259926 (CHEMBL4066441) Show SMILES COc1cc(NC2=NCC3(CN4CCC3CC4)N2)ncn1 |t:6,THB:17:9:12.13:15.16,(51.78,-5.03,;50.24,-5.03,;49.47,-3.69,;47.93,-3.69,;47.17,-2.35,;45.62,-2.35,;44.85,-3.69,;45.48,-5.09,;44.33,-6.12,;43,-5.35,;42.79,-6.74,;40.87,-5.93,;39.47,-6.86,;39.81,-5.46,;41.51,-4.71,;41.45,-3.07,;40.86,-4.46,;43.32,-3.84,;47.93,-1.02,;49.47,-1.01,;50.25,-2.35,)| Show InChI InChI=1S/C14H20N6O/c1-21-12-6-11(16-9-17-12)18-13-15-7-14(19-13)8-20-4-2-10(14)3-5-20/h6,9-10H,2-5,7-8H2,1H3,(H2,15,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease 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))	BDBM50259916 (CHEMBL4067446) Show SMILES Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2n1 |t:8,THB:19:11:14.15:17.18,(67.08,-18.29,;65.75,-19.06,;65.75,-20.61,;64.42,-21.38,;63.09,-20.61,;61.62,-21.08,;60.72,-19.84,;59.17,-19.84,;58.4,-21.18,;59.03,-22.58,;57.88,-23.61,;56.55,-22.84,;56.34,-24.23,;54.42,-23.42,;53.02,-24.35,;53.37,-22.95,;55.07,-22.2,;55,-20.56,;54.42,-21.95,;56.87,-21.34,;61.62,-18.59,;63.09,-19.07,;64.41,-18.3,)| Show InChI InChI=1S/C15H17ClN6S/c16-11-2-1-10-12(19-11)23-14(18-10)20-13-17-7-15(21-13)8-22-5-3-9(15)4-6-22/h1-2,9H,3-8H2,(H2,17,18,20,21)	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	56	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))	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))	BDBM50259938 (CHEMBL4104136) Show SMILES C1N=C(Nc2nc3ccccc3o2)NC11CN2CCC1CC2 |t:1,THB:13:14:17.18:20.21,(44.73,-15.9,;45.88,-14.88,;45.25,-13.47,;46.02,-12.13,;47.57,-12.13,;48.47,-13.37,;49.94,-12.9,;51.27,-13.67,;52.61,-12.9,;52.6,-11.35,;51.27,-10.59,;49.94,-11.35,;48.48,-10.88,;43.72,-13.63,;43.4,-15.13,;43.19,-16.52,;41.27,-15.71,;39.87,-16.64,;40.21,-15.24,;41.91,-14.49,;41.85,-12.85,;41.26,-14.24,)| Show InChI InChI=1S/C16H19N5O/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	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	53	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))	BDBM50259924 (CHEMBL4096397) Show SMILES C1N=C(Nc2ncnc3ccccc23)NC11CN2CCC1CC2 |t:1,THB:14:15:18.19:21.22,(17.8,-17.06,;18.95,-16.03,;18.32,-14.62,;19.1,-13.29,;20.64,-13.29,;21.41,-11.95,;22.95,-11.95,;23.73,-13.29,;22.95,-14.63,;23.71,-15.96,;22.95,-17.28,;21.4,-17.28,;20.64,-15.95,;21.41,-14.62,;16.79,-14.78,;16.47,-16.29,;16.26,-17.68,;14.34,-16.87,;12.93,-17.8,;13.28,-16.4,;14.98,-15.65,;14.92,-14.01,;14.33,-15.4,)| Show InChI InChI=1S/C17H20N6/c1-2-4-14-13(3-1)15(20-11-19-14)21-16-18-9-17(22-16)10-23-7-5-12(17)6-8-23/h1-4,11-12H,5-10H2,(H2,18,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	530	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))	BDBM50259944 (CHEMBL4076554) Show SMILES C1N=C(Nc2cnc3ccccc3n2)NC11CN2CCC1CC2 |t:1,THB:14:15:18.19:21.22,(5.8,-16.68,;6.95,-15.65,;6.32,-14.24,;7.09,-12.91,;8.64,-12.91,;9.4,-14.25,;10.94,-14.25,;11.71,-12.91,;13.25,-12.91,;14.02,-11.58,;13.24,-10.23,;11.7,-10.24,;10.94,-11.57,;9.4,-11.58,;4.79,-14.4,;4.47,-15.91,;4.26,-17.29,;2.34,-16.49,;.94,-17.41,;1.29,-16.02,;2.99,-15.26,;2.92,-13.63,;2.34,-15.02,)| Show InChI InChI=1S/C17H20N6/c1-2-4-14-13(3-1)18-9-15(20-14)21-16-19-10-17(22-16)11-23-7-5-12(17)6-8-23/h1-4,9,12H,5-8,10-11H2,(H2,19,20,21,22)	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	490	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))	BDBM50259925 (CHEMBL4077127) Show SMILES C1N=C(Nc2cc(ncn2)-n2ccnc2)NC11CN2CCC1CC2 |t:1,THB:15:16:19.20:22.23,(57.81,-6,;58.96,-4.97,;58.33,-3.56,;59.11,-2.23,;60.65,-2.23,;61.41,-3.57,;62.95,-3.57,;63.72,-2.23,;62.95,-.89,;61.41,-.9,;63.72,-4.9,;63.09,-6.31,;64.24,-7.34,;65.57,-6.57,;65.25,-5.07,;56.8,-3.72,;56.48,-5.23,;56.27,-6.61,;54.36,-5.81,;52.96,-6.73,;53.3,-5.34,;55,-4.59,;54.94,-2.95,;54.35,-4.34,)| Show InChI InChI=1S/C16H20N8/c1-4-23-5-2-12(1)16(9-23)8-18-15(22-16)21-13-7-14(20-10-19-13)24-6-3-17-11-24/h3,6-7,10-12H,1-2,4-5,8-9H2,(H2,18,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	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))	BDBM50259945 (CHEMBL4093984) Show SMILES Clc1cnc(NC2=NCC3(CN4CCC3CC4)N2)cn1 |t:6,THB:17:9:12.13:15.16,(39.13,-2.88,;37.59,-2.88,;36.81,-1.53,;35.27,-1.54,;34.51,-2.87,;32.97,-2.87,;32.19,-4.21,;32.82,-5.62,;31.67,-6.64,;30.34,-5.87,;30.13,-7.26,;28.21,-6.45,;26.81,-7.38,;27.16,-5.99,;28.85,-5.23,;28.79,-3.59,;28.2,-4.98,;30.66,-4.37,;35.27,-4.21,;36.81,-4.21,)| Show InChI InChI=1S/C13H17ClN6/c14-10-5-16-11(6-15-10)18-12-17-7-13(19-12)8-20-3-1-9(13)2-4-20/h5-6,9H,1-4,7-8H2,(H2,16,17,18,19)	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	990	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))	BDBM50259936 (CHEMBL4077622) Show SMILES Clc1cnc(NC2=NCC3(CN4CCC3CC4)N2)nc1 |t:6,THB:17:9:12.13:15.16,(25.28,-3.2,;23.74,-3.2,;22.97,-4.53,;21.43,-4.53,;20.67,-3.2,;19.13,-3.19,;18.36,-4.53,;18.98,-5.93,;17.84,-6.96,;16.5,-6.19,;16.3,-7.58,;14.38,-6.77,;12.98,-7.7,;13.33,-6.3,;15.02,-5.55,;14.96,-3.91,;14.37,-5.3,;16.83,-4.69,;21.43,-1.86,;22.97,-1.86,)| Show InChI InChI=1S/C13H17ClN6/c14-10-5-15-11(16-6-10)18-12-17-7-13(19-12)8-20-3-1-9(13)2-4-20/h5-6,9H,1-4,7-8H2,(H2,15,16,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	290	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 (Rattus norvegicus (Rat))	BDBM50259914 (CHEMBL4060728) Show SMILES CN1C(Nc2nc3ccccc3s2)=NCC11CN2CCC1CC2 |c:14,THB:1:15:18.19:21.22,(31.55,-31,;32.58,-32.15,;34.11,-31.99,;34.88,-30.66,;36.42,-30.66,;37.33,-31.89,;38.79,-31.42,;40.13,-32.19,;41.46,-31.42,;41.46,-29.87,;40.12,-29.1,;38.79,-29.87,;37.33,-29.4,;34.74,-33.39,;33.59,-34.42,;32.26,-33.65,;32.05,-35.04,;30.14,-34.23,;28.74,-35.16,;29.09,-33.76,;30.78,-33.01,;30.72,-31.37,;30.13,-32.76,)| Show InChI InChI=1S/C17H21N5S/c1-21-15(20-16-19-13-4-2-3-5-14(13)23-16)18-10-17(21)11-22-8-6-12(17)7-9-22/h2-5,12H,6-11H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as area under current curve at holding potential of...				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 (Rattus norvegicus (Rat))	BDBM50259918 (CHEMBL4105038) Show SMILES Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2c1 |t:8,THB:19:11:14.15:17.18,(39.26,-19.74,;37.93,-20.51,;37.93,-22.06,;36.6,-22.83,;35.27,-22.06,;33.8,-22.54,;32.9,-21.3,;31.35,-21.3,;30.58,-22.63,;31.2,-24.04,;30.06,-25.07,;28.73,-24.3,;28.52,-25.68,;26.6,-24.87,;25.2,-25.8,;25.54,-24.41,;27.24,-23.65,;27.18,-22.01,;26.59,-23.4,;29.05,-22.79,;33.8,-20.04,;35.27,-20.52,;36.6,-19.75,)| Show InChI InChI=1S/C16H18ClN5S/c17-11-1-2-12-13(7-11)23-15(19-12)20-14-18-8-16(21-14)9-22-5-3-10(16)4-6-22/h1-2,7,10H,3-6,8-9H2,(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as area under current curve at holding potential of...				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 (Rattus norvegicus (Rat))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as area under current curve at holding potential of...				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 (Rattus norvegicus (Rat))	BDBM50259936 (CHEMBL4077622) Show SMILES Clc1cnc(NC2=NCC3(CN4CCC3CC4)N2)nc1 |t:6,THB:17:9:12.13:15.16,(25.28,-3.2,;23.74,-3.2,;22.97,-4.53,;21.43,-4.53,;20.67,-3.2,;19.13,-3.19,;18.36,-4.53,;18.98,-5.93,;17.84,-6.96,;16.5,-6.19,;16.3,-7.58,;14.38,-6.77,;12.98,-7.7,;13.33,-6.3,;15.02,-5.55,;14.96,-3.91,;14.37,-5.3,;16.83,-4.69,;21.43,-1.86,;22.97,-1.86,)| Show InChI InChI=1S/C13H17ClN6/c14-10-5-15-11(16-6-10)18-12-17-7-13(19-12)8-20-3-1-9(13)2-4-20/h5-6,9H,1-4,7-8H2,(H2,15,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as area under current curve at holding potential of...				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 (Rattus norvegicus (Rat))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as area under current curve at holding potential of...				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))	BDBM50259915 (CHEMBL4063687) Show SMILES Clc1cccc2sc(NC3=NCC4(CN5CCC4CC5)N3)nc12 |t:9,THB:20:12:15.16:18.19,(25.79,-33.21,;25.79,-31.67,;27.13,-30.9,;27.12,-29.35,;25.79,-28.58,;24.46,-29.35,;23,-28.88,;22.09,-30.14,;20.55,-30.14,;19.78,-31.47,;20.4,-32.87,;19.26,-33.9,;17.93,-33.13,;17.72,-34.51,;15.8,-33.71,;14.4,-34.63,;14.75,-33.24,;16.45,-32.49,;16.38,-30.85,;15.8,-32.24,;18.25,-31.63,;22.99,-31.37,;24.46,-30.9,)| Show InChI InChI=1S/C16H18ClN5S/c17-11-2-1-3-12-13(11)19-15(23-12)20-14-18-8-16(21-14)9-22-6-4-10(16)5-7-22/h1-3,10H,4-9H2,(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	120	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))	BDBM50259914 (CHEMBL4060728) Show SMILES CN1C(Nc2nc3ccccc3s2)=NCC11CN2CCC1CC2 |c:14,THB:1:15:18.19:21.22,(31.55,-31,;32.58,-32.15,;34.11,-31.99,;34.88,-30.66,;36.42,-30.66,;37.33,-31.89,;38.79,-31.42,;40.13,-32.19,;41.46,-31.42,;41.46,-29.87,;40.12,-29.1,;38.79,-29.87,;37.33,-29.4,;34.74,-33.39,;33.59,-34.42,;32.26,-33.65,;32.05,-35.04,;30.14,-34.23,;28.74,-35.16,;29.09,-33.76,;30.78,-33.01,;30.72,-31.37,;30.13,-32.76,)| Show InChI InChI=1S/C17H21N5S/c1-21-15(20-16-19-13-4-2-3-5-14(13)23-16)18-10-17(21)11-22-8-6-12(17)7-9-22/h2-5,12H,6-11H2,1H3,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	170	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))	BDBM50259913 (CHEMBL4082605) Show SMILES CN1C(Nc2nc3ccc(Cl)nc3s2)=NCC11CN2CCC1CC2 |c:15,THB:1:16:19.20:22.23,(45.22,-30.28,;46.25,-31.42,;47.77,-31.26,;48.55,-29.93,;50.08,-29.93,;50.99,-31.17,;52.45,-30.69,;53.78,-31.46,;55.12,-30.69,;55.12,-29.14,;56.45,-28.37,;53.78,-28.38,;52.45,-29.15,;50.99,-28.68,;48.4,-32.67,;47.25,-33.69,;45.93,-32.92,;45.72,-34.31,;43.8,-33.5,;42.4,-34.43,;42.75,-33.04,;44.44,-32.28,;44.38,-30.65,;43.8,-32.03,)| Show InChI InChI=1S/C16H19ClN6S/c1-22-14(18-8-16(22)9-23-6-4-10(16)5-7-23)21-15-19-11-2-3-12(17)20-13(11)24-15/h2-3,10H,4-9H2,1H3,(H,18,19,21)	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	550	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))	BDBM50259946 (CHEMBL4069408) Show SMILES CCN1C(Nc2nc3ccc(OC)cc3s2)=NCC11CN2CCC1CC2 |c:17,THB:2:18:21.22:24.25,(5.54,-38.61,;5.06,-40.07,;6.09,-41.22,;7.62,-41.06,;8.39,-39.72,;9.93,-39.73,;10.84,-40.96,;12.3,-40.49,;13.63,-41.26,;14.97,-40.49,;14.97,-38.94,;16.29,-38.16,;16.29,-36.62,;13.63,-38.17,;12.3,-38.94,;10.84,-38.47,;8.24,-42.46,;7.1,-43.49,;5.77,-42.72,;5.56,-44.1,;3.65,-43.3,;2.25,-44.22,;2.59,-42.83,;4.29,-42.08,;4.23,-40.44,;3.64,-41.83,)| Show InChI InChI=1S/C19H25N5OS/c1-3-24-17(20-11-19(24)12-23-8-6-13(19)7-9-23)22-18-21-15-5-4-14(25-2)10-16(15)26-18/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,20,21,22)	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	>1.00E+4	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))	BDBM50259947 (CHEMBL4085299) Show SMILES COc1ccc2sc(NC3=NCC4(CN5CCC4CC5)N3)nc2c1 |t:9,THB:20:12:15.16:18.19,(15.81,-30.95,;14.47,-31.72,;13.14,-30.95,;13.14,-29.4,;11.8,-28.64,;10.47,-29.41,;9.01,-28.94,;8.1,-30.19,;6.56,-30.19,;5.79,-31.52,;6.42,-32.93,;5.27,-33.96,;3.94,-33.19,;3.73,-34.57,;1.82,-33.76,;.42,-34.69,;.77,-33.3,;2.46,-32.54,;2.4,-30.91,;1.81,-32.3,;4.26,-31.68,;9.01,-31.43,;10.47,-30.95,;11.81,-31.73,)| Show InChI InChI=1S/C17H21N5OS/c1-23-12-2-3-14-13(8-12)19-16(24-14)20-15-18-9-17(21-15)10-22-6-4-11(17)5-7-22/h2-3,8,11H,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	750	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))	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))	BDBM50259923 (CHEMBL4078355) Show SMILES Clc1ccc2c(NC3=NCC4(CN5CCC4CC5)N3)ncnn12 |t:7,THB:18:10:13.14:16.17,(37.59,-16.14,;36.12,-15.66,;34.88,-16.57,;33.64,-15.66,;34.11,-14.2,;33.35,-12.86,;31.81,-12.86,;31.04,-14.19,;31.66,-15.6,;30.51,-16.63,;29.18,-15.86,;28.97,-17.24,;27.05,-16.44,;25.65,-17.37,;26,-15.97,;27.7,-15.21,;27.63,-13.57,;27.05,-14.97,;29.5,-14.35,;34.11,-11.52,;35.66,-11.53,;36.43,-12.87,;35.65,-14.2,)| Show InChI InChI=1S/C15H18ClN7/c16-12-2-1-11-13(18-9-19-23(11)12)20-14-17-7-15(21-14)8-22-5-3-10(15)4-6-22/h1-2,9-10H,3-8H2,(H2,17,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	62	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))	BDBM50259926 (CHEMBL4066441) Show SMILES COc1cc(NC2=NCC3(CN4CCC3CC4)N2)ncn1 |t:6,THB:17:9:12.13:15.16,(51.78,-5.03,;50.24,-5.03,;49.47,-3.69,;47.93,-3.69,;47.17,-2.35,;45.62,-2.35,;44.85,-3.69,;45.48,-5.09,;44.33,-6.12,;43,-5.35,;42.79,-6.74,;40.87,-5.93,;39.47,-6.86,;39.81,-5.46,;41.51,-4.71,;41.45,-3.07,;40.86,-4.46,;43.32,-3.84,;47.93,-1.02,;49.47,-1.01,;50.25,-2.35,)| Show InChI InChI=1S/C14H20N6O/c1-21-12-6-11(16-9-17-12)18-13-15-7-14(19-13)8-20-4-2-10(14)3-5-20/h6,9-10H,2-5,7-8H2,1H3,(H2,15,16,17,18,19)	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	1.30E+3	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))	BDBM50259937 (CHEMBL4081582) Show SMILES Clc1ccc(NC2=NCC3(CN4CCC3CC4)N2)nc1 |t:6,THB:17:9:12.13:15.16,(12.67,-3.32,;11.13,-3.32,;10.35,-4.66,;8.81,-4.66,;8.05,-3.32,;6.51,-3.32,;5.74,-4.65,;6.36,-6.06,;5.22,-7.09,;3.88,-6.32,;3.68,-7.7,;1.76,-6.9,;.36,-7.82,;.71,-6.43,;2.4,-5.68,;2.34,-4.04,;1.75,-5.43,;4.21,-4.81,;8.81,-1.99,;10.35,-1.98,)| Show InChI InChI=1S/C14H18ClN5/c15-11-1-2-12(16-7-11)18-13-17-8-14(19-13)9-20-5-3-10(14)4-6-20/h1-2,7,10H,3-6,8-9H2,(H2,16,17,18,19)	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	1.20E+3	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))	BDBM50259917 (CHEMBL4088682) Show SMILES COc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2c1 |t:9,THB:20:12:15.16:18.19,(52.97,-17.62,;52.98,-19.16,;51.65,-19.94,;51.65,-21.48,;50.32,-22.25,;48.99,-21.48,;47.52,-21.96,;46.61,-20.72,;45.07,-20.72,;44.3,-22.05,;44.92,-23.46,;43.78,-24.49,;42.44,-23.72,;42.23,-25.11,;40.31,-24.3,;38.91,-25.23,;39.26,-23.83,;40.96,-23.08,;40.89,-21.44,;40.31,-22.83,;42.77,-22.21,;47.52,-19.46,;48.99,-19.94,;50.32,-19.17,)| Show InChI InChI=1S/C17H21N5OS/c1-23-12-2-3-13-14(8-12)24-16(19-13)20-15-18-9-17(21-15)10-22-6-4-11(17)5-7-22/h2-3,8,11H,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	880	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))	BDBM50259918 (CHEMBL4105038) Show SMILES Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2c1 |t:8,THB:19:11:14.15:17.18,(39.26,-19.74,;37.93,-20.51,;37.93,-22.06,;36.6,-22.83,;35.27,-22.06,;33.8,-22.54,;32.9,-21.3,;31.35,-21.3,;30.58,-22.63,;31.2,-24.04,;30.06,-25.07,;28.73,-24.3,;28.52,-25.68,;26.6,-24.87,;25.2,-25.8,;25.54,-24.41,;27.24,-23.65,;27.18,-22.01,;26.59,-23.4,;29.05,-22.79,;33.8,-20.04,;35.27,-20.52,;36.6,-19.75,)| Show InChI InChI=1S/C16H18ClN5S/c17-11-1-2-12-13(7-11)23-15(19-12)20-14-18-8-16(21-14)9-22-5-3-10(16)4-6-22/h1-2,7,10H,3-6,8-9H2,(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	150	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