Compile Data Set for Download or QSAR

Found 316 hits with Last Name = 'mate' and Initial = 'ra'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	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 B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [125I]Tyr54-alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes co-expressing human RIC3 measured after 2 hrs...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50211195 (CHEMBL3944506) Show SMILES COc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1 |r,wU:12.21,t:9,THB:20:12:15.16:19.18,(37.09,-40.85,;35.6,-40.46,;34.52,-41.55,;34.92,-43.04,;33.83,-44.12,;32.35,-43.73,;31.07,-44.57,;29.87,-43.61,;28.38,-44.01,;27.98,-45.5,;28.96,-46.69,;28.12,-47.99,;26.63,-47.59,;26.93,-49.11,;25.44,-48.42,;23.78,-49.14,;23.56,-47.64,;25.16,-46.94,;25.24,-45.16,;25.72,-46.36,;26.55,-46.05,;30.42,-42.17,;31.96,-42.24,;33.04,-41.16,)| Show InChI InChI=1S/C17H20N4O2S/c1-22-12-2-3-13-14(8-12)24-16(19-13)20-15-18-9-17(23-15)10-21-6-4-11(17)5-7-21/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,19,20)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [125I]Tyr54-alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes co-expressing human RIC3 measured after 2 hrs...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164613 ((-)-Spiro[1-azabicyclo(2.2.2)octane-3,5'-oxazolidi...) Show SMILES O=C1NC[C@@]2(CN3CCC2CC3)O1 |wU:4.13,(17.66,3,;16.71,1.79,;17.15,.32,;15.87,-.57,;14.65,.37,;14.65,-1.17,;13.32,-1.92,;13.8,-.68,;12.7,-.03,;13.32,1.16,;12,.37,;12,-1.17,;15.17,1.82,)| Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat hippocampal alpha7 nAChR measured after 2 hrs by TopCount scintillation counting method				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485806 (CHEMBL2164125) Show SMILES COc1ccc(CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C20H25ClN2O4S/c1-14(2)12-19(20(22)24)23(13-15-4-8-17(27-3)9-5-15)28(25,26)18-10-6-16(21)7-11-18/h4-11,14,19H,12-13H2,1-3H3,(H2,22,24)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of human gamma-secretase expressed in IMR32 cell membranes using MBPC-125 Swedish as substrate assessed as inhibition of amyloid beta40 pr...				Bioorg Med Chem Lett 22: 6828-31 (2012) Article DOI: 10.1016/j.bmcl.2012.09.057 BindingDB Entry DOI: 10.7270/Q2RJ4NBT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232609 (CHEMBL4098776) Show SMILES C1N=C(Nc2nccc(n2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,TLB:16:17:21.20:23.24,THB:0:17:21.20:23.24,(38.44,-28.23,;39.58,-27.21,;38.96,-25.8,;39.73,-24.47,;41.27,-24.47,;42.04,-25.8,;43.58,-25.8,;44.34,-24.47,;43.57,-23.13,;42.04,-23.13,;44.34,-21.8,;45.89,-21.8,;46.66,-20.47,;45.88,-19.13,;44.33,-19.13,;43.57,-20.47,;37.43,-25.96,;37.11,-27.46,;37.09,-28.88,;34.93,-28.34,;34.94,-26.54,;35.51,-25.27,;35.58,-26.79,;34.18,-27.55,;33.86,-29.1,)| Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-6-9-20-17(22-16)23-18-21-12-19(25-18)13-24-10-7-15(19)8-11-24/h1-6,9,15H,7-8,10-13H2,(H,20,21,22,23)/t19-/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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477715 (CHEMBL248647) Show SMILES COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H23ClN2O4S/c1-27-17-9-5-15(6-10-17)14-23(19-4-2-3-13-22-20(19)24)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta40 production after 19 hrs				Bioorg Med Chem Lett 22: 6828-31 (2012) Article DOI: 10.1016/j.bmcl.2012.09.057 BindingDB Entry DOI: 10.7270/Q2RJ4NBT
					More data for this Ligand-Target Pair
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))	BDBM50211207 (CHEMBL3950038) Show SMILES C1C2CCCN1CC21CN=C(Nc2nc3ccccc3s2)O1 |t:11,TLB:21:7:0:4.2.3| Show InChI InChI=1S/C16H18N4OS/c1-2-6-13-12(5-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-3-4-11(16)8-20/h1-2,5-6,11H,3-4,7-10H2,(H,17,18,19)	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 Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					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))	BDBM50211210 (CHEMBL3984925) Show SMILES C1N=C(Nc2ccc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,THB:14:15:18.19:22.21,(48.06,-43.88,;48.9,-42.58,;47.93,-41.39,;48.32,-39.9,;49.81,-39.5,;50.19,-38.02,;51.67,-37.61,;52.77,-38.7,;54.25,-38.3,;55.34,-39.38,;54.95,-40.88,;53.46,-41.27,;52.37,-40.19,;50.89,-40.59,;46.49,-41.94,;46.57,-43.48,;46.88,-45,;45.38,-44.31,;43.72,-45.03,;43.51,-43.53,;45.11,-42.83,;45.18,-41.05,;45.66,-42.26,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-15-13(3-1)5-6-16(20-15)21-17-19-11-18(23-17)12-22-9-7-14(18)8-10-22/h1-6,14H,7-12H2,(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	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232599 (CHEMBL4095046) Show SMILES CC(C)c1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:12.21,t:9,TLB:20:12:16.15:18.19,THB:11:12:16.15:18.19,(58.53,-10.45,;56.99,-10.45,;56.22,-9.12,;56.22,-11.78,;56.99,-13.12,;56.22,-14.46,;54.68,-14.45,;53.92,-13.12,;52.38,-13.12,;51.61,-14.45,;52.23,-15.86,;51.09,-16.88,;49.76,-16.11,;49.74,-17.52,;47.58,-16.99,;47.59,-15.19,;48.16,-13.92,;48.23,-15.44,;46.84,-16.2,;46.51,-17.75,;50.08,-14.61,;54.68,-11.79,)| Show InChI InChI=1S/C16H23N5O/c1-11(2)13-3-6-17-14(19-13)20-15-18-9-16(22-15)10-21-7-4-12(16)5-8-21/h3,6,11-12H,4-5,7-10H2,1-2H3,(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	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211200 (CHEMBL3974854) Show SMILES C1N=C(Nc2nc(cs2)-c2ccccc2)OC11CN2CCC1CC2 |t:1,THB:15:16:19.20:23.22,(8.78,-39.79,;9.61,-38.49,;8.64,-37.3,;9.04,-35.81,;10.52,-35.41,;11.73,-36.37,;13.02,-35.53,;12.61,-34.04,;11.08,-33.97,;14.45,-36.08,;14.69,-37.6,;16.13,-38.15,;17.33,-37.18,;17.07,-35.65,;15.64,-35.11,;7.2,-37.85,;7.29,-39.39,;7.59,-40.91,;6.1,-40.22,;4.44,-40.94,;4.22,-39.44,;5.82,-38.74,;5.9,-36.96,;6.37,-38.17,)| Show InChI InChI=1S/C18H20N4OS/c1-2-4-13(5-3-1)15-10-24-17(20-15)21-16-19-11-18(23-16)12-22-8-6-14(18)7-9-22/h1-5,10,14H,6-9,11-12H2,(H,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	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211198 (CHEMBL3961219) Show SMILES COc1cccc2sc(NC3=NCC4(CN5CCC4CC5)O3)nc12 |t:10,THB:21:13:16.17:20.19,(49.13,-16.73,;50.22,-15.65,;49.82,-14.17,;50.91,-13.09,;50.51,-11.6,;49.03,-11.21,;47.95,-12.29,;46.41,-12.21,;45.86,-13.65,;44.37,-14.06,;43.97,-15.54,;44.95,-16.74,;44.11,-18.03,;42.62,-17.64,;42.92,-19.16,;41.43,-18.47,;39.77,-19.19,;39.55,-17.68,;41.15,-16.99,;41.23,-15.21,;41.71,-16.41,;42.54,-16.1,;47.06,-14.62,;48.34,-13.77,)| Show InChI InChI=1S/C17H20N4O2S/c1-22-12-3-2-4-13-14(12)19-16(24-13)20-15-18-9-17(23-15)10-21-7-5-11(17)6-8-21/h2-4,11H,5-10H2,1H3,(H,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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211215 (CHEMBL3898922) Show SMILES C1N=C(Nc2ccccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,THB:10:11:14.15:18.17,(46.07,-8.61,;46.9,-7.32,;45.93,-6.12,;46.33,-4.64,;47.81,-4.23,;48.2,-2.75,;49.68,-2.35,;50.78,-3.44,;50.38,-4.92,;48.9,-5.33,;44.5,-6.68,;44.58,-8.22,;44.88,-9.74,;43.39,-9.05,;41.73,-9.76,;41.51,-8.26,;43.11,-7.57,;43.19,-5.78,;43.67,-6.99,)| Show InChI InChI=1S/C14H18N4O/c1-2-6-15-12(3-1)17-13-16-9-14(19-13)10-18-7-4-11(14)5-8-18/h1-3,6,11H,4-5,7-10H2,(H,15,16,17)/t14-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211215 (CHEMBL3898922) Show SMILES C1N=C(Nc2ccccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,THB:10:11:14.15:18.17,(46.07,-8.61,;46.9,-7.32,;45.93,-6.12,;46.33,-4.64,;47.81,-4.23,;48.2,-2.75,;49.68,-2.35,;50.78,-3.44,;50.38,-4.92,;48.9,-5.33,;44.5,-6.68,;44.58,-8.22,;44.88,-9.74,;43.39,-9.05,;41.73,-9.76,;41.51,-8.26,;43.11,-7.57,;43.19,-5.78,;43.67,-6.99,)| Show InChI InChI=1S/C14H18N4O/c1-2-6-15-12(3-1)17-13-16-9-14(19-13)10-18-7-4-11(14)5-8-18/h1-3,6,11H,4-5,7-10H2,(H,15,16,17)/t14-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211212 (CHEMBL3927589) Show SMILES C1N=C(Nc2ccccn2)OC11CN2CCC1CC2 |t:1,THB:10:11:14.15:18.17,(29.01,-30.28,;29.84,-28.99,;28.87,-27.79,;29.27,-26.3,;30.75,-25.9,;31.14,-24.42,;32.62,-24.01,;33.72,-25.1,;33.32,-26.59,;31.84,-26.99,;27.44,-28.35,;27.52,-29.88,;27.82,-31.4,;26.33,-30.72,;24.67,-31.43,;24.45,-29.93,;26.05,-29.23,;26.13,-27.45,;26.61,-28.66,)| Show InChI InChI=1S/C14H18N4O/c1-2-6-15-12(3-1)17-13-16-9-14(19-13)10-18-7-4-11(14)5-8-18/h1-3,6,11H,4-5,7-10H2,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211202 (CHEMBL3981300) Show SMILES COc1ccc2sc(NC3=NCC4(CN5CCC4CC5)O3)nc2c1 |t:9,THB:20:12:15.16:19.18,(53.42,-23.9,;53.02,-22.42,;51.54,-22.03,;51.13,-20.54,;49.65,-20.15,;48.58,-21.23,;47.04,-21.15,;46.48,-22.59,;45,-22.99,;44.6,-24.48,;45.57,-25.68,;44.74,-26.97,;43.25,-26.58,;43.55,-28.09,;42.06,-27.41,;40.4,-28.12,;40.18,-26.62,;41.78,-25.92,;41.86,-24.14,;42.33,-25.35,;43.16,-25.04,;47.69,-23.56,;48.97,-22.71,;50.45,-23.11,)| Show InChI InChI=1S/C17H20N4O2S/c1-22-12-2-3-14-13(8-12)19-16(24-14)20-15-18-9-17(23-15)10-21-6-4-11(17)5-7-21/h2-3,8,11H,4-7,9-10H2,1H3,(H,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	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211220 (CHEMBL3970846) Show SMILES C1N=C(Nc2nc3ccccc3s2)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,THB:13:14:17.18:21.20,(28.88,-37.4,;29.71,-36.11,;28.74,-34.91,;29.14,-33.42,;30.62,-33.02,;31.83,-33.98,;33.11,-33.14,;34.59,-33.54,;35.68,-32.45,;35.27,-30.97,;33.79,-30.57,;32.72,-31.66,;31.18,-31.58,;27.31,-35.47,;27.39,-37,;27.69,-38.52,;26.2,-37.84,;24.54,-38.55,;24.32,-37.05,;25.92,-36.35,;26,-34.57,;26.47,-35.78,)| Show InChI InChI=1S/C16H18N4OS/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-5-11(16)6-8-20/h1-4,11H,5-10H2,(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	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211196 (CHEMBL3954179) Show SMILES C1N=C(Nc2nc3ccccc3s2)OC11CN2CCC1CC2 |t:1,THB:13:14:17.18:21.20,(24.52,-9.98,;25.36,-8.69,;24.39,-7.5,;24.78,-6.01,;26.27,-5.61,;27.47,-6.57,;28.75,-5.73,;30.23,-6.12,;31.32,-5.04,;30.92,-3.55,;29.44,-3.16,;28.36,-4.24,;26.82,-4.16,;22.95,-8.05,;23.03,-9.59,;23.33,-11.11,;21.84,-10.42,;20.18,-11.14,;19.97,-9.63,;21.57,-8.94,;21.64,-7.16,;22.12,-8.36,)| Show InChI InChI=1S/C16H18N4OS/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-5-11(16)6-8-20/h1-4,11H,5-10H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232611 (CHEMBL4071859) Show SMILES C1N=C(Nc2ncc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(28.62,-8.14,;29.77,-7.11,;29.14,-5.71,;29.91,-4.37,;31.46,-4.37,;32.22,-5.71,;33.76,-5.71,;34.53,-4.38,;36.07,-4.38,;36.84,-3.04,;36.06,-1.7,;34.52,-1.7,;33.76,-3.04,;32.22,-3.04,;27.61,-5.87,;27.29,-7.37,;27.28,-8.78,;25.11,-8.25,;25.12,-6.45,;25.69,-5.17,;25.76,-6.7,;24.37,-7.46,;24.04,-9.01,)| Show InChI InChI=1S/C17H19N5O/c1-2-4-14-12(3-1)9-18-15(20-14)21-16-19-10-17(23-16)11-22-7-5-13(17)6-8-22/h1-4,9,13H,5-8,10-11H2,(H,18,19,20,21)/t17-/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232600 (CHEMBL4074583) Show SMILES COc1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:11.20,t:8,TLB:19:11:15.14:17.18,THB:10:11:15.14:17.18,(10.08,-19.52,;10.85,-20.85,;10.08,-22.18,;10.85,-23.52,;10.08,-24.86,;8.54,-24.86,;7.78,-23.52,;6.24,-23.52,;5.46,-24.85,;6.09,-26.26,;4.94,-27.29,;3.61,-26.52,;3.6,-27.93,;1.43,-27.39,;1.44,-25.59,;2.01,-24.32,;2.08,-25.85,;.69,-26.6,;.36,-28.16,;3.93,-25.01,;8.54,-22.19,)| Show InChI InChI=1S/C14H19N5O2/c1-20-11-2-5-15-12(17-11)18-13-16-8-14(21-13)9-19-6-3-10(14)4-7-19/h2,5,10H,3-4,6-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211211 (CHEMBL3902912) Show SMILES C1N=C(Nc2nccs2)OC11CN2CCC1CC2 |t:1,THB:9:10:13.14:17.16,(7.52,-18.74,;8.35,-17.45,;7.38,-16.26,;7.78,-14.77,;9.26,-14.37,;10.47,-15.33,;11.76,-14.49,;11.35,-13,;9.82,-12.93,;5.94,-16.81,;6.03,-18.35,;6.33,-19.87,;4.84,-19.18,;3.18,-19.9,;2.96,-18.39,;4.56,-17.7,;4.64,-15.92,;5.11,-17.12,)| Show InChI InChI=1S/C12H16N4OS/c1-4-16-5-2-9(1)12(8-16)7-14-10(17-12)15-11-13-3-6-18-11/h3,6,9H,1-2,4-5,7-8H2,(H,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232598 (CHEMBL4084852) Show SMILES Cc1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(45.92,-10.63,;45.15,-11.97,;45.92,-13.31,;45.15,-14.64,;43.61,-14.64,;42.85,-13.3,;41.31,-13.3,;40.53,-14.64,;41.16,-16.04,;40.01,-17.07,;38.68,-16.3,;38.67,-17.71,;36.5,-17.18,;36.51,-15.38,;37.08,-14.1,;37.15,-15.63,;35.76,-16.39,;35.43,-17.94,;39,-14.8,;43.61,-11.97,)| Show InChI InChI=1S/C14H19N5O/c1-10-2-5-15-12(17-10)18-13-16-8-14(20-13)9-19-6-3-11(14)4-7-19/h2,5,11H,3-4,6-9H2,1H3,(H,15,16,17,18)/t14-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232595 (CHEMBL4100355) Show SMILES C1N=C(Nc2ncccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(52.08,-7.56,;53.22,-6.53,;52.6,-5.12,;53.37,-3.79,;54.91,-3.79,;55.68,-5.13,;57.22,-5.13,;57.98,-3.79,;57.21,-2.45,;55.68,-2.46,;51.07,-5.28,;50.75,-6.79,;50.73,-8.2,;48.57,-7.67,;48.58,-5.86,;49.15,-4.59,;49.22,-6.12,;47.82,-6.87,;47.5,-8.43,)| Show InChI InChI=1S/C13H17N5O/c1-4-14-11(15-5-1)17-12-16-8-13(19-12)9-18-6-2-10(13)3-7-18/h1,4-5,10H,2-3,6-9H2,(H,14,15,16,17)/t13-/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	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232606 (CHEMBL4083246) Show SMILES Cc1cncc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(34.42,-36.17,;33.64,-34.83,;34.41,-33.5,;33.64,-32.16,;32.1,-32.16,;31.34,-33.49,;29.79,-33.49,;29.02,-34.83,;29.65,-36.24,;28.5,-37.27,;27.17,-36.49,;27.15,-37.91,;24.99,-37.37,;25,-35.57,;25.56,-34.29,;25.64,-35.82,;24.24,-36.58,;23.92,-38.14,;27.49,-34.99,;32.1,-34.83,)| Show InChI InChI=1S/C14H19N5O/c1-10-6-15-7-12(17-10)18-13-16-8-14(20-13)9-19-4-2-11(14)3-5-19/h6-7,11H,2-5,8-9H2,1H3,(H,16,17,18)/t14-/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	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					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))	BDBM50211206 (CHEMBL3923346) Show SMILES C1CN2CC1C1(CN=C(Nc3nc4ccccc4s3)O1)C2 |t:8,TLB:6:5:1.0:3,THB:19:5:1.0:3| Show InChI InChI=1S/C15H16N4OS/c1-2-4-12-11(3-1)17-14(21-12)18-13-16-8-15(20-13)9-19-6-5-10(15)7-19/h1-4,10H,5-9H2,(H,16,17,18)	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 Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					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))	BDBM50211208 (CHEMBL3926969) Show SMILES C1N=C(Nc2cc(ccn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,THB:16:17:20.21:24.23,(46.52,-20.21,;47.35,-18.92,;46.38,-17.72,;46.78,-16.24,;48.26,-15.84,;48.64,-14.36,;50.12,-13.96,;51.22,-15.04,;50.82,-16.53,;49.34,-16.93,;50.5,-12.47,;52,-12.06,;52.39,-10.57,;51.29,-9.48,;49.79,-9.9,;49.41,-11.39,;44.95,-18.28,;45.04,-19.81,;45.34,-21.33,;43.85,-20.64,;42.19,-21.36,;41.98,-19.86,;43.57,-19.16,;43.65,-17.39,;44.12,-18.59,)| Show InChI InChI=1S/C20H22N4O/c1-2-4-15(5-3-1)16-6-9-21-18(12-16)23-19-22-13-20(25-19)14-24-10-7-17(20)8-11-24/h1-6,9,12,17H,7-8,10-11,13-14H2,(H,21,22,23)/t20-/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	85	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232602 (CHEMBL4097654) Show SMILES Clc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1 |r,wU:8.17,t:5,TLB:16:8:12.11:14.15,THB:7:8:12.11:14.15,(45.28,-41.37,;44.51,-42.71,;42.97,-42.71,;42.21,-44.05,;40.67,-44.05,;39.89,-45.38,;40.52,-46.79,;39.37,-47.82,;38.04,-47.05,;38.03,-48.46,;35.86,-47.93,;35.87,-46.12,;36.44,-44.85,;36.51,-46.38,;35.11,-47.13,;34.79,-48.69,;38.36,-45.54,;42.97,-45.39,;44.52,-45.39,;45.28,-44.05,)| Show InChI InChI=1S/C13H16ClN5O/c14-10-5-11(17-8-16-10)18-12-15-6-13(20-12)7-19-3-1-9(13)2-4-19/h5,8-9H,1-4,6-7H2,(H,15,16,17,18)/t13-/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	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232610 (CHEMBL4089244) Show SMILES COc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(35.32,-21.48,;34.55,-22.82,;33.02,-22.82,;32.25,-24.16,;30.71,-24.16,;29.95,-22.82,;28.4,-22.82,;27.63,-24.15,;28.26,-25.56,;27.11,-26.59,;25.78,-25.82,;25.77,-27.23,;23.6,-26.69,;23.61,-24.89,;24.18,-23.62,;24.25,-25.14,;22.86,-25.9,;22.53,-27.46,;26.1,-24.31,;30.71,-21.49,;32.25,-21.48,)| Show InChI InChI=1S/C14H19N5O2/c1-20-11-6-15-12(16-7-11)18-13-17-8-14(21-13)9-19-4-2-10(14)3-5-19/h6-7,10H,2-5,8-9H2,1H3,(H,15,16,17,18)/t14-/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232603 (CHEMBL4075880) Show SMILES Cc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1 |r,wU:8.17,t:5,TLB:16:8:12.11:14.15,THB:7:8:12.11:14.15,(24.2,-40.79,;23.43,-42.13,;21.89,-42.13,;21.13,-43.47,;19.59,-43.46,;18.81,-44.8,;19.44,-46.21,;18.29,-47.24,;16.96,-46.47,;16.95,-47.88,;14.78,-47.34,;14.79,-45.54,;15.36,-44.27,;15.43,-45.79,;14.03,-46.55,;13.71,-48.11,;17.28,-44.96,;21.89,-44.8,;23.44,-44.81,;24.2,-43.47,)| Show InChI InChI=1S/C14H19N5O/c1-10-6-12(17-9-16-10)18-13-15-7-14(20-13)8-19-4-2-11(14)3-5-19/h6,9,11H,2-5,7-8H2,1H3,(H,15,16,17,18)/t14-/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	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232613 (CHEMBL4061082) Show SMILES Cc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(22.65,-23.58,;21.11,-23.58,;20.35,-24.92,;18.81,-24.91,;18.04,-23.58,;16.5,-23.58,;15.73,-24.91,;16.35,-26.32,;15.21,-27.34,;13.88,-26.57,;13.86,-27.99,;11.7,-27.45,;11.71,-25.65,;12.27,-24.38,;12.35,-25.9,;10.95,-26.66,;10.63,-28.21,;14.2,-25.07,;18.8,-22.24,;20.34,-22.24,)| Show InChI InChI=1S/C14H19N5O/c1-10-6-15-12(16-7-10)18-13-17-8-14(20-13)9-19-4-2-11(14)3-5-19/h6-7,11H,2-5,8-9H2,1H3,(H,15,16,17,18)/t14-/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	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232593 (CHEMBL4087500) Show SMILES C1N=C(Nc2cnccn2)OC11CN2CCC1CC2 |t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(28.22,-17.23,;29.37,-16.2,;28.74,-14.79,;29.51,-13.46,;31.06,-13.46,;31.82,-12.12,;33.36,-12.12,;34.13,-13.46,;33.36,-14.8,;31.82,-14.79,;27.21,-14.95,;26.89,-16.46,;26.87,-17.87,;24.71,-17.34,;24.72,-15.53,;25.28,-14.26,;25.36,-15.78,;23.96,-16.54,;23.64,-18.1,)| Show InChI InChI=1S/C13H17N5O/c1-5-18-6-2-10(1)13(9-18)8-16-12(19-13)17-11-7-14-3-4-15-11/h3-4,7,10H,1-2,5-6,8-9H2,(H,15,16,17)	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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					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))	BDBM50232614 (CHEMBL4102804) Show SMILES C1N=C(Nc2cnccn2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(28.22,-17.23,;29.37,-16.2,;28.74,-14.79,;29.51,-13.46,;31.06,-13.46,;31.82,-12.12,;33.36,-12.12,;34.13,-13.46,;33.36,-14.8,;31.82,-14.79,;27.21,-14.95,;26.89,-16.46,;26.87,-17.87,;24.71,-17.34,;24.72,-15.53,;25.28,-14.26,;25.36,-15.78,;23.96,-16.54,;23.64,-18.1,)| Show InChI InChI=1S/C13H17N5O/c1-5-18-6-2-10(1)13(9-18)8-16-12(19-13)17-11-7-14-3-4-15-11/h3-4,7,10H,1-2,5-6,8-9H2,(H,15,16,17)/t13-/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	180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					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))	BDBM50232612 (CHEMBL4098850) Show SMILES C1N=C(Nc2cc3cccnc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(16.97,-7.96,;18.11,-6.94,;17.49,-5.53,;18.26,-4.19,;19.81,-4.2,;20.57,-2.86,;22.11,-2.86,;22.87,-1.52,;24.41,-1.52,;25.19,-2.86,;24.42,-4.2,;22.88,-4.2,;22.11,-5.53,;20.57,-5.53,;15.96,-5.69,;15.64,-7.19,;15.62,-8.6,;13.46,-8.07,;13.47,-6.27,;14.04,-4.99,;14.11,-6.52,;12.71,-7.28,;12.39,-8.83,)| Show InChI InChI=1S/C17H19N5O/c1-2-12-8-15(19-9-14(12)18-5-1)21-16-20-10-17(23-16)11-22-6-3-13(17)4-7-22/h1-2,5,8-9,13H,3-4,6-7,10-11H2,(H,19,20,21)/t17-/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	190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211097 (CHEMBL3973872) Show SMILES C1N=C(Nc2ccccc2)OC11CN2CCC1CC2 |t:1,THB:10:11:14.15:18.17,(7.22,-8.53,;8.06,-7.24,;7.09,-6.04,;7.48,-4.55,;8.97,-4.15,;10.05,-5.24,;11.54,-4.84,;11.93,-3.35,;10.83,-2.26,;9.35,-2.67,;5.65,-6.6,;5.73,-8.13,;6.04,-9.65,;4.54,-8.97,;2.88,-9.68,;2.67,-8.18,;4.27,-7.48,;4.34,-5.7,;4.82,-6.91,)| Show InChI InChI=1S/C15H19N3O/c1-2-4-13(5-3-1)17-14-16-10-15(19-14)11-18-8-6-12(15)7-9-18/h1-5,12H,6-11H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					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))	BDBM50232605 (CHEMBL4077222) Show SMILES Clc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(59.32,-34.01,;57.78,-34.01,;57.01,-35.35,;55.47,-35.35,;54.7,-34.01,;53.16,-34.01,;52.39,-35.34,;53.01,-36.75,;51.87,-37.78,;50.53,-37.01,;50.52,-38.42,;48.35,-37.89,;48.36,-36.08,;48.93,-34.81,;49,-36.34,;47.61,-37.09,;47.28,-38.65,;50.85,-35.5,;55.47,-32.67,;57,-32.67,)| Show InChI InChI=1S/C13H16ClN5O/c14-10-5-16-11(6-15-10)18-12-17-7-13(20-12)8-19-3-1-9(13)2-4-19/h5-6,9H,1-4,7-8H2,(H,16,17,18)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232596 (CHEMBL4064914) Show SMILES C1N=C(Nc2ccncn2)OC11CN2CCC1CC2 |t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(5.42,-16.68,;6.57,-15.65,;5.95,-14.24,;6.72,-12.9,;8.26,-12.91,;9.02,-11.57,;10.56,-11.57,;11.33,-12.91,;10.57,-14.24,;9.03,-14.24,;4.41,-14.4,;4.09,-15.9,;4.08,-17.32,;1.91,-16.78,;1.92,-14.98,;2.49,-13.7,;2.56,-15.23,;1.16,-15.99,;.84,-17.55,)| Show InChI InChI=1S/C13H17N5O/c1-4-14-9-16-11(1)17-12-15-7-13(19-12)8-18-5-2-10(13)3-6-18/h1,4,9-10H,2-3,5-8H2,(H,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					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))	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 Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211197 (CHEMBL3951064) Show SMILES [H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2nc3ccccc3s2)O1 |r,t:11,TLB:21:7:5:3.2| Show InChI InChI=1S/C15H16N4OS/c1-2-4-12-11(3-1)17-14(21-12)18-13-16-8-15(20-13)9-19-6-5-10(15)7-19/h1-4,10H,5-9H2,(H,16,17,18)/t10-,15+/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	480	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					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

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