Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50048142   

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))	BDBM50206258 (CHEMBL3963469) Show SMILES C1N=C(Nc2nccn3cccc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(21.01,-33.98,;22.38,-33.28,;22.14,-31.76,;23.23,-30.67,;24.72,-31.07,;25.11,-32.55,;26.59,-32.95,;27.68,-31.87,;27.28,-30.38,;28.12,-29.09,;27.16,-27.89,;25.72,-28.44,;25.8,-29.98,;20.62,-31.52,;19.92,-32.89,;19.18,-34.16,;17.91,-33.58,;17.91,-31.66,;18.74,-30.58,;18.74,-32.21,;17.18,-32.89,;16.39,-34.07,)| Show InChI InChI=1S/C16H19N5O/c1-2-13-14(17-5-9-21(13)6-1)19-15-18-10-16(22-15)11-20-7-3-12(16)4-8-20/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H,17,18,19)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206241 (CHEMBL3901366) Show SMILES Cc1cn2cccc2c(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:13.23,t:11,TLB:21:13:16.17:20.19,THB:12:13:16.17:20.19,(11.73,-42.59,;11.34,-41.11,;12.43,-40.02,;12.03,-38.53,;12.87,-37.24,;11.9,-36.04,;10.46,-36.59,;10.54,-38.13,;9.47,-39.22,;7.98,-38.83,;6.89,-39.92,;7.13,-41.44,;5.75,-42.13,;4.66,-41.04,;3.93,-42.32,;2.65,-41.73,;2.65,-39.82,;3.49,-38.74,;3.49,-40.36,;1.92,-41.04,;1.13,-42.22,;5.37,-39.67,;9.86,-40.71,)| Show InChI InChI=1S/C17H21N5O/c1-12-9-22-6-2-3-14(22)15(19-12)20-16-18-10-17(23-16)11-21-7-4-13(17)5-8-21/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3,(H,18,19,20)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206256 (CHEMBL3917985) Show SMILES Clc1cnn2ccc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc12 |r,wU:12.21,t:9,TLB:20:12:15.16:19.18,THB:11:12:15.16:19.18,(13.35,-28.59,;13.27,-30.12,;14.47,-31.09,;13.92,-32.53,;12.39,-32.45,;11.28,-33.55,;9.8,-33.15,;9.41,-31.66,;7.91,-31.26,;6.82,-32.35,;7.06,-33.88,;5.68,-34.58,;4.59,-33.48,;3.85,-34.76,;2.57,-34.18,;2.57,-32.25,;3.41,-31.17,;3.41,-32.8,;1.84,-33.48,;1.04,-34.67,;5.29,-32.11,;10.49,-30.56,;11.98,-30.96,)| Show InChI InChI=1S/C15H17ClN6O/c16-11-7-18-22-6-3-12(19-13(11)22)20-14-17-8-15(23-14)9-21-4-1-10(15)2-5-21/h3,6-7,10H,1-2,4-5,8-9H2,(H,17,19,20)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206264 (CHEMBL3957600) Show SMILES C1N=C(Nc2ncnn3cccc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(18.77,-42.77,;20.14,-42.08,;19.91,-40.56,;21,-39.47,;22.48,-39.87,;22.87,-41.35,;24.35,-41.75,;25.45,-40.66,;25.05,-39.17,;25.89,-37.88,;24.92,-36.68,;23.48,-37.23,;23.56,-38.77,;18.39,-40.31,;17.68,-41.68,;16.95,-42.96,;15.67,-42.38,;15.67,-40.46,;16.51,-39.38,;16.51,-41,;14.94,-41.68,;14.15,-42.86,)| Show InChI InChI=1S/C15H18N6O/c1-2-12-13(17-10-18-21(12)5-1)19-14-16-8-15(22-14)9-20-6-3-11(15)4-7-20/h1-2,5,10-11H,3-4,6-9H2,(H,16,17,18,19)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206240 (CHEMBL3928422) Show SMILES C1N=C(Nc2ncnc3ccsc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(5.4,-25.63,;6.78,-24.93,;6.54,-23.39,;7.64,-22.29,;9.14,-22.69,;9.54,-24.19,;11.04,-24.59,;12.13,-23.49,;11.71,-21.98,;12.55,-20.69,;11.57,-19.5,;10.14,-20.06,;10.23,-21.59,;5.01,-23.14,;4.3,-24.53,;3.56,-25.81,;2.27,-25.23,;2.27,-23.29,;3.11,-22.2,;3.11,-23.84,;1.53,-24.52,;.74,-25.72,)| Show InChI InChI=1S/C15H17N5OS/c1-4-20-5-2-10(1)15(8-20)7-16-14(21-15)19-13-12-11(3-6-22-12)17-9-18-13/h3,6,9-10H,1-2,4-5,7-8H2,(H,16,17,18,19)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206266 (CHEMBL3937435) Show SMILES C1N=C(Nc2nccc3occc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(19.68,-16.43,;21.06,-15.73,;20.82,-14.2,;21.92,-13.1,;23.42,-13.5,;23.81,-15,;25.3,-15.4,;26.4,-14.3,;25.98,-12.8,;26.81,-11.5,;25.84,-10.31,;24.41,-10.87,;24.5,-12.4,;19.29,-13.95,;18.58,-15.33,;17.84,-16.62,;16.55,-16.03,;16.55,-14.1,;17.4,-13.01,;17.4,-14.65,;15.82,-15.33,;15.02,-16.52,)| Show InChI InChI=1S/C16H18N4O2/c1-5-17-14(12-4-8-21-13(1)12)19-15-18-9-16(22-15)10-20-6-2-11(16)3-7-20/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,17,18,19)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206249 (CHEMBL3900048) Show SMILES Clc1ccc2c(NC3=NC4(CO3)CN3CCC4CC3)ncnn12 |t:7,TLB:8:9:14.15:18.17,THB:10:9:14.15:18.17,(44.76,-13.12,;43.23,-13.2,;42.26,-12,;40.82,-12.55,;40.9,-14.09,;39.82,-15.18,;38.33,-14.79,;37.24,-15.88,;35.72,-15.63,;35.02,-17,;36.11,-18.09,;37.48,-17.4,;34.29,-18.28,;33.01,-17.7,;33.01,-15.78,;33.85,-14.7,;33.85,-16.32,;32.28,-17,;31.49,-18.18,;40.21,-16.67,;41.69,-17.07,;42.79,-15.98,;42.39,-14.49,)| Show InChI InChI=1S/C15H17ClN6O/c16-12-2-1-11-13(17-9-18-22(11)12)19-14-20-15(8-23-14)7-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206262 (CHEMBL3909099) Show SMILES [H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2ncnn3cccc23)O1 |r,t:11,TLB:21:7:2.3:5,THB:8:7:2.3:5| Show InChI InChI=1S/C14H16N6O/c1-2-11-12(16-9-17-20(11)4-1)18-13-15-7-14(21-13)8-19-5-3-10(14)6-19/h1-2,4,9-10H,3,5-8H2,(H,15,16,17,18)/t10-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206244 (CHEMBL3969845) Show SMILES C1N=C(Nc2ccc3nccn3n2)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(32.64,-24.37,;34.02,-23.68,;33.78,-22.15,;34.87,-21.06,;36.37,-21.46,;36.76,-22.94,;38.24,-23.34,;39.34,-22.25,;40.88,-22.32,;41.43,-20.88,;40.23,-19.92,;38.94,-20.76,;37.45,-20.36,;32.25,-21.9,;31.55,-23.28,;30.81,-24.56,;29.53,-23.97,;29.53,-22.05,;30.37,-20.97,;30.37,-22.6,;28.8,-23.28,;28.01,-24.46,)| Show InChI InChI=1S/C15H18N6O/c1-2-13-16-5-8-21(13)19-12(1)18-14-17-9-15(22-14)10-20-6-3-11(15)4-7-20/h1-2,5,8,11H,3-4,6-7,9-10H2,(H,17,18,19)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206250 (CHEMBL3905979) Show SMILES Fc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(27.6,-47.37,;26.08,-47.44,;25.11,-46.25,;23.67,-46.8,;23.75,-48.33,;22.67,-49.43,;21.18,-49.03,;20.09,-50.12,;20.33,-51.64,;18.96,-52.34,;17.87,-51.25,;17.14,-52.52,;15.86,-51.94,;15.86,-50.02,;16.7,-48.94,;16.7,-50.57,;15.13,-51.24,;14.34,-52.43,;18.57,-49.88,;23.06,-50.91,;24.54,-51.31,;25.63,-50.23,;25.23,-48.74,)| Show InChI InChI=1S/C15H17FN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206243 (CHEMBL3918431) Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206255 (CHEMBL3900472) Show SMILES C1N=C(Nc2ncnc3sccc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(32.53,-15.53,;33.92,-14.83,;33.67,-13.3,;34.77,-12.19,;36.28,-12.59,;36.67,-14.09,;38.17,-14.49,;39.26,-13.39,;38.85,-11.89,;39.68,-10.59,;38.71,-9.4,;37.27,-9.96,;37.36,-11.49,;32.14,-13.05,;31.43,-14.43,;30.69,-15.72,;29.4,-15.13,;29.4,-13.19,;30.25,-12.11,;30.25,-13.74,;28.66,-14.43,;27.87,-15.62,)| Show InChI InChI=1S/C15H17N5OS/c1-4-20-5-2-10(1)15(8-20)7-16-14(21-15)19-12-11-3-6-22-13(11)18-9-17-12/h3,6,9-10H,1-2,4-5,7-8H2,(H,16,17,18,19)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206265 (CHEMBL3909084) Show SMILES C1N=C(Nc2nccc3ccccc23)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,THB:14:15:18.19:22.21,(64.82,-20.78,;65.66,-19.49,;64.69,-18.29,;65.08,-16.8,;66.57,-16.4,;67.65,-17.49,;69.14,-17.09,;69.54,-15.6,;68.43,-14.52,;68.83,-13.04,;67.74,-11.96,;66.25,-12.37,;65.87,-13.84,;66.95,-14.92,;63.25,-18.85,;63.33,-20.39,;63.63,-21.91,;62.14,-21.22,;60.48,-21.94,;60.26,-20.43,;61.86,-19.73,;61.94,-17.95,;62.42,-19.16,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-15-13(3-1)5-8-19-16(15)21-17-20-11-18(23-17)12-22-9-6-14(18)7-10-22/h1-5,8,14H,6-7,9-12H2,(H,19,20,21)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206242 (CHEMBL3980345) Show SMILES Brc1cc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn2c1 |r,wU:9.18,t:6,TLB:17:9:12.13:16.15,THB:8:9:12.13:16.15,(28.03,-.84,;27.63,-2.32,;26.2,-2.87,;26.28,-4.41,;25.2,-5.5,;23.71,-5.11,;22.62,-6.2,;22.86,-7.72,;21.49,-8.41,;20.4,-7.32,;19.66,-8.6,;18.39,-8.01,;18.39,-6.1,;19.22,-5.02,;19.22,-6.64,;17.66,-7.32,;16.87,-8.5,;21.1,-5.95,;25.59,-6.99,;27.07,-7.39,;28.16,-6.3,;27.76,-4.81,;28.6,-3.52,)| Show InChI InChI=1S/C15H17BrN6O/c16-11-5-12-13(18-9-19-22(12)6-11)20-14-17-7-15(23-14)8-21-3-1-10(15)2-4-21/h5-6,9-10H,1-4,7-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50206248 (CHEMBL3897030) Show SMILES Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(40.57,-37.22,;39.04,-37.3,;38.07,-36.1,;36.63,-36.65,;36.71,-38.19,;35.64,-39.28,;34.15,-38.88,;33.06,-39.97,;33.3,-41.49,;31.93,-42.19,;30.84,-41.1,;30.1,-42.37,;28.82,-41.79,;28.82,-39.87,;29.66,-38.79,;29.66,-40.42,;28.1,-41.09,;27.31,-42.28,;31.54,-39.73,;36.03,-40.76,;37.51,-41.16,;38.6,-40.08,;38.2,-38.59,)| Show InChI InChI=1S/C15H17BrN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206263 (CHEMBL3909492) Show SMILES Cn1cnc2cc(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncc12 |r,wU:11.20,t:8,TLB:19:11:14.15:18.17,THB:10:11:14.15:18.17,(13.74,-15.62,;12.89,-14.34,;13.44,-12.89,;12.23,-11.93,;10.94,-12.78,;9.46,-12.39,;8.39,-13.48,;6.9,-13.08,;5.81,-14.17,;6.05,-15.7,;4.67,-16.39,;3.58,-15.3,;2.85,-16.58,;1.57,-15.99,;1.57,-14.07,;2.41,-12.99,;2.41,-14.62,;.84,-15.3,;.05,-16.48,;4.29,-13.93,;8.78,-14.97,;10.26,-15.36,;11.35,-14.27,)| Show InChI InChI=1S/C16H20N6O/c1-21-10-19-12-6-14(17-7-13(12)21)20-15-18-8-16(23-15)9-22-4-2-11(16)3-5-22/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18,20)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206254 (CHEMBL3946303) Show SMILES Cn1cnc2cnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)cc12 |r,wU:12.21,t:9,TLB:20:12:15.16:19.18,THB:11:12:15.16:19.18,(40.07,-1.29,;40,-2.83,;41.21,-3.79,;40.66,-5.24,;39.12,-5.17,;38.03,-6.26,;36.55,-5.86,;36.16,-4.38,;34.67,-3.98,;33.58,-5.07,;33.82,-6.59,;32.44,-7.29,;31.35,-6.2,;30.62,-7.47,;29.34,-6.89,;29.34,-4.97,;30.18,-3.89,;30.18,-5.51,;28.61,-6.19,;27.82,-7.38,;32.06,-4.82,;37.23,-3.29,;38.71,-3.68,)| Show InChI InChI=1S/C16H20N6O/c1-21-10-19-12-7-17-14(6-13(12)21)20-15-18-8-16(23-15)9-22-4-2-11(16)3-5-22/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18,20)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206247 (CHEMBL3910223) Show SMILES Brc1ccn2ncnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c12 |r,wU:13.22,t:10,TLB:21:13:16.17:20.19,THB:12:13:16.17:20.19,(38.66,-1.75,;39.95,-2.58,;41.38,-2.03,;42.35,-3.23,;41.51,-4.52,;41.91,-6.02,;40.82,-7.1,;39.34,-6.7,;38.95,-5.22,;37.46,-4.82,;36.37,-5.91,;36.61,-7.43,;35.24,-8.13,;34.15,-7.04,;33.41,-8.31,;32.13,-7.73,;32.13,-5.81,;32.97,-4.73,;32.97,-6.35,;31.41,-7.03,;30.62,-8.21,;34.85,-5.66,;40.02,-4.12,)| Show InChI InChI=1S/C15H17BrN6O/c16-11-3-6-22-12(11)13(18-9-19-22)20-14-17-7-15(23-14)8-21-4-1-10(15)2-5-21/h3,6,9-10H,1-2,4-5,7-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206251 (CHEMBL3951684) Show SMILES Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(43.91,-27.94,;42.38,-28.02,;41.42,-26.82,;39.98,-27.37,;40.06,-28.91,;38.98,-30,;37.49,-29.61,;36.4,-30.7,;36.64,-32.22,;35.27,-32.91,;34.18,-31.82,;33.44,-33.1,;32.17,-32.51,;32.17,-30.6,;33.01,-29.52,;33.01,-31.14,;31.44,-31.82,;30.65,-33,;34.88,-30.45,;39.37,-31.49,;40.85,-31.89,;41.94,-30.8,;41.54,-29.31,)| Show InChI InChI=1S/C16H18BrN5O/c17-13-2-1-12-14(18-5-8-22(12)13)20-15-19-9-16(23-15)10-21-6-3-11(16)4-7-21/h1-2,5,8,11H,3-4,6-7,9-10H2,(H,18,19,20)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206261 (CHEMBL3931382) Show SMILES N#Cc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:11.20,t:8,TLB:19:11:14.15:18.17,THB:10:11:14.15:18.17,(15.55,-3,;14.03,-3.09,;12.5,-3.16,;11.53,-1.96,;10.09,-2.52,;10.17,-4.05,;9.09,-5.15,;7.61,-4.75,;6.51,-5.84,;6.75,-7.36,;5.38,-8.06,;4.29,-6.97,;3.56,-8.24,;2.28,-7.66,;2.28,-5.74,;3.12,-4.66,;3.12,-6.28,;1.55,-6.96,;.76,-8.15,;4.99,-5.6,;9.48,-6.63,;10.96,-7.03,;12.06,-5.95,;11.66,-4.45,)| Show InChI InChI=1S/C16H17N7O/c17-7-12-1-2-13-14(19-10-20-23(12)13)21-15-18-8-16(24-15)9-22-5-3-11(16)4-6-22/h1-2,10-11H,3-6,8-9H2,(H,18,19,20,21)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206253 (CHEMBL3891068) Show SMILES Brc1cc(Br)n2ncnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c12 |r,wU:14.23,t:11,TLB:22:14:17.18:21.20,THB:13:14:17.18:21.20,(9.24,-11.95,;10.52,-12.78,;11.96,-12.23,;12.93,-13.43,;14.46,-13.35,;12.09,-14.72,;12.49,-16.22,;11.39,-17.3,;9.92,-16.9,;9.52,-15.42,;8.04,-15.02,;6.95,-16.11,;7.19,-17.63,;5.81,-18.33,;4.72,-17.24,;3.99,-18.51,;2.71,-17.93,;2.71,-16.01,;3.55,-14.93,;3.55,-16.55,;1.98,-17.23,;1.19,-18.41,;5.43,-15.86,;10.6,-14.32,)| Show InChI InChI=1S/C15H16Br2N6O/c16-10-5-11(17)23-12(10)13(19-8-20-23)21-14-18-6-15(24-14)7-22-3-1-9(15)2-4-22/h5,8-9H,1-4,6-7H2,(H,18,19,20,21)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206260 (CHEMBL3961124) Show SMILES Clc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(13.58,-47.6,;12.05,-47.68,;11.08,-46.48,;9.64,-47.03,;9.72,-48.57,;8.64,-49.66,;7.16,-49.26,;6.06,-50.36,;6.3,-51.88,;4.93,-52.57,;3.84,-51.48,;3.11,-52.75,;1.83,-52.17,;1.83,-50.25,;2.67,-49.18,;2.67,-50.8,;1.1,-51.48,;.31,-52.66,;4.54,-50.11,;9.03,-51.15,;10.51,-51.54,;11.61,-50.46,;11.21,-48.97,)| Show InChI InChI=1S/C15H17ClN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206248 (CHEMBL3897030) Show SMILES Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(40.57,-37.22,;39.04,-37.3,;38.07,-36.1,;36.63,-36.65,;36.71,-38.19,;35.64,-39.28,;34.15,-38.88,;33.06,-39.97,;33.3,-41.49,;31.93,-42.19,;30.84,-41.1,;30.1,-42.37,;28.82,-41.79,;28.82,-39.87,;29.66,-38.79,;29.66,-40.42,;28.1,-41.09,;27.31,-42.28,;31.54,-39.73,;36.03,-40.76,;37.51,-41.16,;38.6,-40.08,;38.2,-38.59,)| Show InChI InChI=1S/C15H17BrN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206252 (CHEMBL3928032) Show SMILES Clc1ccc2c(NC3=NCCC4(CN5CCC4CC5)O3)ncnn12 |t:7,TLB:19:11:14.15:18.17,THB:10:11:14.15:18.17,(13.31,-23.78,;11.85,-24.26,;10.59,-23.35,;9.34,-24.26,;9.82,-25.73,;9.06,-27.08,;7.52,-27.08,;6.74,-28.41,;7.51,-29.74,;6.73,-31.06,;5.21,-31.05,;4.45,-29.73,;3.72,-31.01,;2.43,-30.43,;2.43,-28.5,;3.28,-27.42,;3.28,-29.05,;1.7,-29.73,;.91,-30.92,;5.21,-28.4,;9.83,-28.41,;11.37,-28.41,;12.15,-27.07,;11.37,-25.73,)| Show InChI InChI=1S/C16H19ClN6O/c17-13-2-1-12-14(19-10-20-23(12)13)21-15-18-6-5-16(24-15)9-22-7-3-11(16)4-8-22/h1-2,10-11H,3-9H2,(H,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206245 (CHEMBL3907100) Show SMILES Cc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(41.57,-46.49,;40.04,-46.57,;39.07,-45.37,;37.63,-45.93,;37.71,-47.46,;36.63,-48.56,;35.14,-48.16,;34.05,-49.25,;34.29,-50.77,;32.92,-51.47,;31.83,-50.38,;31.1,-51.65,;29.82,-51.07,;29.82,-49.15,;30.66,-48.07,;30.66,-49.69,;29.09,-50.37,;28.3,-51.56,;32.53,-49,;37.02,-50.04,;38.5,-50.44,;39.6,-49.36,;39.2,-47.86,)| Show InChI InChI=1S/C16H20N6O/c1-11-2-3-13-14(18-10-19-22(11)13)20-15-17-8-16(23-15)9-21-6-4-12(16)5-7-21/h2-3,10,12H,4-9H2,1H3,(H,17,18,19,20)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206268 (CHEMBL3891441) Show SMILES Cn1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnc12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(27.73,-20.49,;26.19,-20.57,;25.22,-19.38,;23.78,-19.94,;23.87,-21.48,;22.78,-22.57,;21.28,-22.17,;20.18,-23.28,;20.43,-24.81,;19.04,-25.51,;17.94,-24.41,;17.2,-25.7,;15.91,-25.11,;15.91,-23.17,;16.76,-22.09,;16.76,-23.72,;15.18,-24.41,;14.38,-25.6,;18.65,-23.03,;23.18,-24.07,;24.68,-24.47,;25.77,-23.37,;25.36,-21.87,)| Show InChI InChI=1S/C16H20N6O/c1-21-5-4-12-13(18-10-19-14(12)21)20-15-17-8-16(23-15)9-22-6-2-11(16)3-7-22/h4-5,10-11H,2-3,6-9H2,1H3,(H,17,18,19,20)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50206246 (CHEMBL3919130) Show SMILES Clc1ccc2c(NC3=NC[C@]4(CN5CCC4CC5)O3)ncnn12 |r,wD:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(30.39,-13.24,;28.86,-13.32,;27.89,-12.12,;26.45,-12.67,;26.53,-14.21,;25.45,-15.3,;23.97,-14.9,;22.88,-15.99,;23.12,-17.51,;21.74,-18.21,;20.65,-17.12,;19.92,-18.39,;18.64,-17.81,;18.64,-15.89,;19.48,-14.82,;19.48,-16.44,;17.91,-17.12,;17.12,-18.3,;21.36,-15.75,;25.85,-16.79,;27.32,-17.18,;28.42,-16.1,;28.02,-14.61,)| Show InChI InChI=1S/C15H17ClN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206263 (CHEMBL3909492) Show SMILES Cn1cnc2cc(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncc12 |r,wU:11.20,t:8,TLB:19:11:14.15:18.17,THB:10:11:14.15:18.17,(13.74,-15.62,;12.89,-14.34,;13.44,-12.89,;12.23,-11.93,;10.94,-12.78,;9.46,-12.39,;8.39,-13.48,;6.9,-13.08,;5.81,-14.17,;6.05,-15.7,;4.67,-16.39,;3.58,-15.3,;2.85,-16.58,;1.57,-15.99,;1.57,-14.07,;2.41,-12.99,;2.41,-14.62,;.84,-15.3,;.05,-16.48,;4.29,-13.93,;8.78,-14.97,;10.26,-15.36,;11.35,-14.27,)| Show InChI InChI=1S/C16H20N6O/c1-21-10-19-12-6-14(17-7-13(12)21)20-15-18-8-16(23-15)9-22-4-2-11(16)3-5-22/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18,20)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206248 (CHEMBL3897030) Show SMILES Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(40.57,-37.22,;39.04,-37.3,;38.07,-36.1,;36.63,-36.65,;36.71,-38.19,;35.64,-39.28,;34.15,-38.88,;33.06,-39.97,;33.3,-41.49,;31.93,-42.19,;30.84,-41.1,;30.1,-42.37,;28.82,-41.79,;28.82,-39.87,;29.66,-38.79,;29.66,-40.42,;28.1,-41.09,;27.31,-42.28,;31.54,-39.73,;36.03,-40.76,;37.51,-41.16,;38.6,-40.08,;38.2,-38.59,)| Show InChI InChI=1S/C15H17BrN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206245 (CHEMBL3907100) Show SMILES Cc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(41.57,-46.49,;40.04,-46.57,;39.07,-45.37,;37.63,-45.93,;37.71,-47.46,;36.63,-48.56,;35.14,-48.16,;34.05,-49.25,;34.29,-50.77,;32.92,-51.47,;31.83,-50.38,;31.1,-51.65,;29.82,-51.07,;29.82,-49.15,;30.66,-48.07,;30.66,-49.69,;29.09,-50.37,;28.3,-51.56,;32.53,-49,;37.02,-50.04,;38.5,-50.44,;39.6,-49.36,;39.2,-47.86,)| Show InChI InChI=1S/C16H20N6O/c1-11-2-3-13-14(18-10-19-22(11)13)20-15-17-8-16(23-15)9-21-6-4-12(16)5-7-21/h2-3,10,12H,4-9H2,1H3,(H,17,18,19,20)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206251 (CHEMBL3951684) Show SMILES Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(43.91,-27.94,;42.38,-28.02,;41.42,-26.82,;39.98,-27.37,;40.06,-28.91,;38.98,-30,;37.49,-29.61,;36.4,-30.7,;36.64,-32.22,;35.27,-32.91,;34.18,-31.82,;33.44,-33.1,;32.17,-32.51,;32.17,-30.6,;33.01,-29.52,;33.01,-31.14,;31.44,-31.82,;30.65,-33,;34.88,-30.45,;39.37,-31.49,;40.85,-31.89,;41.94,-30.8,;41.54,-29.31,)| Show InChI InChI=1S/C16H18BrN5O/c17-13-2-1-12-14(18-5-8-22(12)13)20-15-19-9-16(23-15)10-21-6-3-11(16)4-7-21/h1-2,5,8,11H,3-4,6-7,9-10H2,(H,18,19,20)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206268 (CHEMBL3891441) Show SMILES Cn1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnc12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(27.73,-20.49,;26.19,-20.57,;25.22,-19.38,;23.78,-19.94,;23.87,-21.48,;22.78,-22.57,;21.28,-22.17,;20.18,-23.28,;20.43,-24.81,;19.04,-25.51,;17.94,-24.41,;17.2,-25.7,;15.91,-25.11,;15.91,-23.17,;16.76,-22.09,;16.76,-23.72,;15.18,-24.41,;14.38,-25.6,;18.65,-23.03,;23.18,-24.07,;24.68,-24.47,;25.77,-23.37,;25.36,-21.87,)| Show InChI InChI=1S/C16H20N6O/c1-21-5-4-12-13(18-10-19-14(12)21)20-15-17-8-16(23-15)9-22-6-2-11(16)3-7-22/h4-5,10-11H,2-3,6-9H2,1H3,(H,17,18,19,20)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206266 (CHEMBL3937435) Show SMILES C1N=C(Nc2nccc3occc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(19.68,-16.43,;21.06,-15.73,;20.82,-14.2,;21.92,-13.1,;23.42,-13.5,;23.81,-15,;25.3,-15.4,;26.4,-14.3,;25.98,-12.8,;26.81,-11.5,;25.84,-10.31,;24.41,-10.87,;24.5,-12.4,;19.29,-13.95,;18.58,-15.33,;17.84,-16.62,;16.55,-16.03,;16.55,-14.1,;17.4,-13.01,;17.4,-14.65,;15.82,-15.33,;15.02,-16.52,)| Show InChI InChI=1S/C16H18N4O2/c1-5-17-14(12-4-8-21-13(1)12)19-15-18-9-16(22-15)10-20-6-2-11(16)3-7-20/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,17,18,19)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206264 (CHEMBL3957600) Show SMILES C1N=C(Nc2ncnn3cccc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(18.77,-42.77,;20.14,-42.08,;19.91,-40.56,;21,-39.47,;22.48,-39.87,;22.87,-41.35,;24.35,-41.75,;25.45,-40.66,;25.05,-39.17,;25.89,-37.88,;24.92,-36.68,;23.48,-37.23,;23.56,-38.77,;18.39,-40.31,;17.68,-41.68,;16.95,-42.96,;15.67,-42.38,;15.67,-40.46,;16.51,-39.38,;16.51,-41,;14.94,-41.68,;14.15,-42.86,)| Show InChI InChI=1S/C15H18N6O/c1-2-12-13(17-10-18-21(12)5-1)19-14-16-8-15(22-14)9-20-6-3-11(15)4-7-20/h1-2,5,10-11H,3-4,6-9H2,(H,16,17,18,19)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206262 (CHEMBL3909099) Show SMILES [H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2ncnn3cccc23)O1 |r,t:11,TLB:21:7:2.3:5,THB:8:7:2.3:5| Show InChI InChI=1S/C14H16N6O/c1-2-11-12(16-9-17-20(11)4-1)18-13-15-7-14(21-13)8-19-5-3-10(14)6-19/h1-2,4,9-10H,3,5-8H2,(H,15,16,17,18)/t10-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206249 (CHEMBL3900048) Show SMILES Clc1ccc2c(NC3=NC4(CO3)CN3CCC4CC3)ncnn12 |t:7,TLB:8:9:14.15:18.17,THB:10:9:14.15:18.17,(44.76,-13.12,;43.23,-13.2,;42.26,-12,;40.82,-12.55,;40.9,-14.09,;39.82,-15.18,;38.33,-14.79,;37.24,-15.88,;35.72,-15.63,;35.02,-17,;36.11,-18.09,;37.48,-17.4,;34.29,-18.28,;33.01,-17.7,;33.01,-15.78,;33.85,-14.7,;33.85,-16.32,;32.28,-17,;31.49,-18.18,;40.21,-16.67,;41.69,-17.07,;42.79,-15.98,;42.39,-14.49,)| Show InChI InChI=1S/C15H17ClN6O/c16-12-2-1-11-13(17-9-18-22(11)12)19-14-20-15(8-23-14)7-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206246 (CHEMBL3919130) Show SMILES Clc1ccc2c(NC3=NC[C@]4(CN5CCC4CC5)O3)ncnn12 |r,wD:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(30.39,-13.24,;28.86,-13.32,;27.89,-12.12,;26.45,-12.67,;26.53,-14.21,;25.45,-15.3,;23.97,-14.9,;22.88,-15.99,;23.12,-17.51,;21.74,-18.21,;20.65,-17.12,;19.92,-18.39,;18.64,-17.81,;18.64,-15.89,;19.48,-14.82,;19.48,-16.44,;17.91,-17.12,;17.12,-18.3,;21.36,-15.75,;25.85,-16.79,;27.32,-17.18,;28.42,-16.1,;28.02,-14.61,)| Show InChI InChI=1S/C15H17ClN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206261 (CHEMBL3931382) Show SMILES N#Cc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:11.20,t:8,TLB:19:11:14.15:18.17,THB:10:11:14.15:18.17,(15.55,-3,;14.03,-3.09,;12.5,-3.16,;11.53,-1.96,;10.09,-2.52,;10.17,-4.05,;9.09,-5.15,;7.61,-4.75,;6.51,-5.84,;6.75,-7.36,;5.38,-8.06,;4.29,-6.97,;3.56,-8.24,;2.28,-7.66,;2.28,-5.74,;3.12,-4.66,;3.12,-6.28,;1.55,-6.96,;.76,-8.15,;4.99,-5.6,;9.48,-6.63,;10.96,-7.03,;12.06,-5.95,;11.66,-4.45,)| Show InChI InChI=1S/C16H17N7O/c17-7-12-1-2-13-14(19-10-20-23(12)13)21-15-18-8-16(24-15)9-22-5-3-11(16)4-6-22/h1-2,10-11H,3-6,8-9H2,(H,18,19,20,21)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206260 (CHEMBL3961124) Show SMILES Clc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(13.58,-47.6,;12.05,-47.68,;11.08,-46.48,;9.64,-47.03,;9.72,-48.57,;8.64,-49.66,;7.16,-49.26,;6.06,-50.36,;6.3,-51.88,;4.93,-52.57,;3.84,-51.48,;3.11,-52.75,;1.83,-52.17,;1.83,-50.25,;2.67,-49.18,;2.67,-50.8,;1.1,-51.48,;.31,-52.66,;4.54,-50.11,;9.03,-51.15,;10.51,-51.54,;11.61,-50.46,;11.21,-48.97,)| Show InChI InChI=1S/C15H17ClN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	95	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206258 (CHEMBL3963469) Show SMILES C1N=C(Nc2nccn3cccc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(21.01,-33.98,;22.38,-33.28,;22.14,-31.76,;23.23,-30.67,;24.72,-31.07,;25.11,-32.55,;26.59,-32.95,;27.68,-31.87,;27.28,-30.38,;28.12,-29.09,;27.16,-27.89,;25.72,-28.44,;25.8,-29.98,;20.62,-31.52,;19.92,-32.89,;19.18,-34.16,;17.91,-33.58,;17.91,-31.66,;18.74,-30.58,;18.74,-32.21,;17.18,-32.89,;16.39,-34.07,)| Show InChI InChI=1S/C16H19N5O/c1-2-13-14(17-5-9-21(13)6-1)19-15-18-10-16(22-15)11-20-7-3-12(16)4-8-20/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H,17,18,19)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206256 (CHEMBL3917985) Show SMILES Clc1cnn2ccc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc12 |r,wU:12.21,t:9,TLB:20:12:15.16:19.18,THB:11:12:15.16:19.18,(13.35,-28.59,;13.27,-30.12,;14.47,-31.09,;13.92,-32.53,;12.39,-32.45,;11.28,-33.55,;9.8,-33.15,;9.41,-31.66,;7.91,-31.26,;6.82,-32.35,;7.06,-33.88,;5.68,-34.58,;4.59,-33.48,;3.85,-34.76,;2.57,-34.18,;2.57,-32.25,;3.41,-31.17,;3.41,-32.8,;1.84,-33.48,;1.04,-34.67,;5.29,-32.11,;10.49,-30.56,;11.98,-30.96,)| Show InChI InChI=1S/C15H17ClN6O/c16-11-7-18-22-6-3-12(19-13(11)22)20-14-17-8-15(23-14)9-21-4-1-10(15)2-5-21/h3,6-7,10H,1-2,4-5,8-9H2,(H,17,19,20)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206244 (CHEMBL3969845) Show SMILES C1N=C(Nc2ccc3nccn3n2)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(32.64,-24.37,;34.02,-23.68,;33.78,-22.15,;34.87,-21.06,;36.37,-21.46,;36.76,-22.94,;38.24,-23.34,;39.34,-22.25,;40.88,-22.32,;41.43,-20.88,;40.23,-19.92,;38.94,-20.76,;37.45,-20.36,;32.25,-21.9,;31.55,-23.28,;30.81,-24.56,;29.53,-23.97,;29.53,-22.05,;30.37,-20.97,;30.37,-22.6,;28.8,-23.28,;28.01,-24.46,)| Show InChI InChI=1S/C15H18N6O/c1-2-13-16-5-8-21(13)19-12(1)18-14-17-9-15(22-14)10-20-6-3-11(15)4-7-20/h1-2,5,8,11H,3-4,6-7,9-10H2,(H,17,18,19)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206255 (CHEMBL3900472) Show SMILES C1N=C(Nc2ncnc3sccc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(32.53,-15.53,;33.92,-14.83,;33.67,-13.3,;34.77,-12.19,;36.28,-12.59,;36.67,-14.09,;38.17,-14.49,;39.26,-13.39,;38.85,-11.89,;39.68,-10.59,;38.71,-9.4,;37.27,-9.96,;37.36,-11.49,;32.14,-13.05,;31.43,-14.43,;30.69,-15.72,;29.4,-15.13,;29.4,-13.19,;30.25,-12.11,;30.25,-13.74,;28.66,-14.43,;27.87,-15.62,)| Show InChI InChI=1S/C15H17N5OS/c1-4-20-5-2-10(1)15(8-20)7-16-14(21-15)19-12-11-3-6-22-13(11)18-9-17-12/h3,6,9-10H,1-2,4-5,7-8H2,(H,16,17,18,19)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206254 (CHEMBL3946303) Show SMILES Cn1cnc2cnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)cc12 |r,wU:12.21,t:9,TLB:20:12:15.16:19.18,THB:11:12:15.16:19.18,(40.07,-1.29,;40,-2.83,;41.21,-3.79,;40.66,-5.24,;39.12,-5.17,;38.03,-6.26,;36.55,-5.86,;36.16,-4.38,;34.67,-3.98,;33.58,-5.07,;33.82,-6.59,;32.44,-7.29,;31.35,-6.2,;30.62,-7.47,;29.34,-6.89,;29.34,-4.97,;30.18,-3.89,;30.18,-5.51,;28.61,-6.19,;27.82,-7.38,;32.06,-4.82,;37.23,-3.29,;38.71,-3.68,)| Show InChI InChI=1S/C16H20N6O/c1-21-10-19-12-7-17-14(6-13(12)21)20-15-18-8-16(23-15)9-22-4-2-11(16)3-5-22/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18,20)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206253 (CHEMBL3891068) Show SMILES Brc1cc(Br)n2ncnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c12 |r,wU:14.23,t:11,TLB:22:14:17.18:21.20,THB:13:14:17.18:21.20,(9.24,-11.95,;10.52,-12.78,;11.96,-12.23,;12.93,-13.43,;14.46,-13.35,;12.09,-14.72,;12.49,-16.22,;11.39,-17.3,;9.92,-16.9,;9.52,-15.42,;8.04,-15.02,;6.95,-16.11,;7.19,-17.63,;5.81,-18.33,;4.72,-17.24,;3.99,-18.51,;2.71,-17.93,;2.71,-16.01,;3.55,-14.93,;3.55,-16.55,;1.98,-17.23,;1.19,-18.41,;5.43,-15.86,;10.6,-14.32,)| Show InChI InChI=1S/C15H16Br2N6O/c16-10-5-11(17)23-12(10)13(19-8-20-23)21-14-18-6-15(24-14)7-22-3-1-9(15)2-4-22/h5,8-9H,1-4,6-7H2,(H,18,19,20,21)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206252 (CHEMBL3928032) Show SMILES Clc1ccc2c(NC3=NCCC4(CN5CCC4CC5)O3)ncnn12 |t:7,TLB:19:11:14.15:18.17,THB:10:11:14.15:18.17,(13.31,-23.78,;11.85,-24.26,;10.59,-23.35,;9.34,-24.26,;9.82,-25.73,;9.06,-27.08,;7.52,-27.08,;6.74,-28.41,;7.51,-29.74,;6.73,-31.06,;5.21,-31.05,;4.45,-29.73,;3.72,-31.01,;2.43,-30.43,;2.43,-28.5,;3.28,-27.42,;3.28,-29.05,;1.7,-29.73,;.91,-30.92,;5.21,-28.4,;9.83,-28.41,;11.37,-28.41,;12.15,-27.07,;11.37,-25.73,)| Show InChI InChI=1S/C16H19ClN6O/c17-13-2-1-12-14(19-10-20-23(12)13)21-15-18-6-5-16(24-15)9-22-7-3-11(16)4-8-22/h1-2,10-11H,3-9H2,(H,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	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 alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206250 (CHEMBL3905979) Show SMILES Fc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(27.6,-47.37,;26.08,-47.44,;25.11,-46.25,;23.67,-46.8,;23.75,-48.33,;22.67,-49.43,;21.18,-49.03,;20.09,-50.12,;20.33,-51.64,;18.96,-52.34,;17.87,-51.25,;17.14,-52.52,;15.86,-51.94,;15.86,-50.02,;16.7,-48.94,;16.7,-50.57,;15.13,-51.24,;14.34,-52.43,;18.57,-49.88,;23.06,-50.91,;24.54,-51.31,;25.63,-50.23,;25.23,-48.74,)| Show InChI InChI=1S/C15H17FN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206247 (CHEMBL3910223) Show SMILES Brc1ccn2ncnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c12 |r,wU:13.22,t:10,TLB:21:13:16.17:20.19,THB:12:13:16.17:20.19,(38.66,-1.75,;39.95,-2.58,;41.38,-2.03,;42.35,-3.23,;41.51,-4.52,;41.91,-6.02,;40.82,-7.1,;39.34,-6.7,;38.95,-5.22,;37.46,-4.82,;36.37,-5.91,;36.61,-7.43,;35.24,-8.13,;34.15,-7.04,;33.41,-8.31,;32.13,-7.73,;32.13,-5.81,;32.97,-4.73,;32.97,-6.35,;31.41,-7.03,;30.62,-8.21,;34.85,-5.66,;40.02,-4.12,)| Show InChI InChI=1S/C15H17BrN6O/c16-11-3-6-22-12(11)13(18-9-19-22)20-14-17-7-15(23-14)8-21-4-1-10(15)2-5-21/h3,6,9-10H,1-2,4-5,7-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206242 (CHEMBL3980345) Show SMILES Brc1cc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn2c1 |r,wU:9.18,t:6,TLB:17:9:12.13:16.15,THB:8:9:12.13:16.15,(28.03,-.84,;27.63,-2.32,;26.2,-2.87,;26.28,-4.41,;25.2,-5.5,;23.71,-5.11,;22.62,-6.2,;22.86,-7.72,;21.49,-8.41,;20.4,-7.32,;19.66,-8.6,;18.39,-8.01,;18.39,-6.1,;19.22,-5.02,;19.22,-6.64,;17.66,-7.32,;16.87,-8.5,;21.1,-5.95,;25.59,-6.99,;27.07,-7.39,;28.16,-6.3,;27.76,-4.81,;28.6,-3.52,)| Show InChI InChI=1S/C15H17BrN6O/c16-11-5-12-13(18-9-19-22(12)6-11)20-14-17-7-15(23-14)8-21-3-1-10(15)2-4-21/h5-6,9-10H,1-4,7-8H2,(H,17,18,19,20)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50206240 (CHEMBL3928422) Show SMILES C1N=C(Nc2ncnc3ccsc23)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,TLB:13:14:17.18:21.20,THB:0:14:17.18:21.20,(5.4,-25.63,;6.78,-24.93,;6.54,-23.39,;7.64,-22.29,;9.14,-22.69,;9.54,-24.19,;11.04,-24.59,;12.13,-23.49,;11.71,-21.98,;12.55,-20.69,;11.57,-19.5,;10.14,-20.06,;10.23,-21.59,;5.01,-23.14,;4.3,-24.53,;3.56,-25.81,;2.27,-25.23,;2.27,-23.29,;3.11,-22.2,;3.11,-23.84,;1.53,-24.52,;.74,-25.72,)| Show InChI InChI=1S/C15H17N5OS/c1-4-20-5-2-10(1)15(8-20)7-16-14(21-15)19-13-12-11(3-6-22-12)17-9-18-13/h3,6,9-10H,1-2,4-5,7-8H2,(H,16,17,18,19)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
					More data for this Ligand-Target Pair

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