Compile Data Set for Download or QSAR

Found 245 hits with Last Name = 'manning' and Initial = 'dd'   

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))	BDBM50334454 (CHEMBL1643895 | Ramosetron | US9045501, Ramosetron) Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12 |r| Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334454 (CHEMBL1643895 | Ramosetron | US9045501, Ramosetron) Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12 |r| Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	0.0600	-58.3	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US9045501 (2015) BindingDB Entry DOI: 10.7270/Q2MK6BN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014549 (CHEMBL3261480 | US9045501, 4) Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23 |r,wD:7.6,(8.92,-16.19,;8.45,-14.73,;9.36,-13.48,;8.42,-12.13,;8.87,-10.66,;7.99,-9.38,;6.46,-9.26,;5.89,-7.83,;4.36,-7.61,;3.8,-6.17,;4.77,-4.97,;6.29,-5.2,;6.84,-6.63,;5.89,-5.6,;5.13,-6.93,;5.4,-10.41,;3.93,-9.96,;5.64,-11.94,;4.31,-12.71,;4.31,-14.25,;2.98,-15.02,;5.64,-15.02,;6.97,-14.25,;6.98,-12.7,)| Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US9045501 (2015) BindingDB Entry DOI: 10.7270/Q2MK6BN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014549 (CHEMBL3261480 | US9045501, 4) Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23 |r,wD:7.6,(8.92,-16.19,;8.45,-14.73,;9.36,-13.48,;8.42,-12.13,;8.87,-10.66,;7.99,-9.38,;6.46,-9.26,;5.89,-7.83,;4.36,-7.61,;3.8,-6.17,;4.77,-4.97,;6.29,-5.2,;6.84,-6.63,;5.89,-5.6,;5.13,-6.93,;5.4,-10.41,;3.93,-9.96,;5.64,-11.94,;4.31,-12.71,;4.31,-14.25,;2.98,-15.02,;5.64,-15.02,;6.97,-14.25,;6.98,-12.7,)| Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay				Bioorg Med Chem Lett 24: 2578-81 (2014) Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014558 (ALOSETRON | CHEBI:253342 | Lotronex | US9045501, A...) Show SMILES Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay				Bioorg Med Chem Lett 24: 2578-81 (2014) Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014552 (CHEMBL3261483 | US9045501, 8) Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)| Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay				Bioorg Med Chem Lett 24: 2578-81 (2014) Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014558 (ALOSETRON | CHEBI:253342 | Lotronex | US9045501, A...) Show SMILES Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US9045501 (2015) BindingDB Entry DOI: 10.7270/Q2MK6BN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014552 (CHEMBL3261483 | US9045501, 8) Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)| Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US9045501 (2015) BindingDB Entry DOI: 10.7270/Q2MK6BN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM93624 (5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4...) Show SMILES Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM93624 (5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4...) Show SMILES Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329746 (CHEMBL1271731 | endo-2-((3S,5S)-3,5-dimethylmorpho...) Show SMILES C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C23H32N4O3/c1-14-12-29-13-15(2)27(14)23-25-21-19(8-5-9-20(21)30-23)22(28)24-16-10-17-6-4-7-18(11-16)26(17)3/h5,8-9,14-18H,4,6-7,10-13H2,1-3H3,(H,24,28)/t14-,15-,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334442 ((S)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...) Show SMILES Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:6.5,(21.53,-4.9,;20.98,-3.46,;22.01,-1.72,;20.85,-.68,;20.86,.86,;19.52,1.63,;19.51,3.17,;18.18,3.93,;18.18,5.47,;19.52,6.24,;20.85,5.47,;20.85,3.94,;19.34,4.44,;19.66,5.08,;18.19,.86,;16.85,1.65,;18.19,-.68,;16.86,-1.45,;16.85,-2.99,;18.19,-3.76,;19.52,-2.99,;19.52,-1.45,)| Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334453 ((S)-5-methyl-2-(quinuclidin-3-yl)-2,3-dihydropyrro...) Show SMILES Cn1cc2CN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:6.5,(4.39,-34,;3.85,-32.56,;4.88,-30.82,;3.72,-29.78,;3.73,-28.24,;2.39,-27.47,;2.38,-25.93,;1.05,-25.17,;1.05,-23.63,;2.39,-22.86,;3.72,-23.63,;3.72,-25.16,;2.21,-24.66,;2.53,-24.02,;1.06,-28.24,;-.28,-27.45,;1.06,-29.78,;-.27,-30.55,;-.28,-32.09,;1.06,-32.86,;2.39,-32.09,;2.39,-30.55,)| Show InChI InChI=1S/C18H21N3O/c1-19-9-13-10-21(16-11-20-7-5-12(16)6-8-20)18(22)14-3-2-4-15(19)17(13)14/h2-4,9,12,16H,5-8,10-11H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM160716 (US9045501, 11) Show SMILES Cc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.26,-5.15,;-1.99,-4.28,;-2.05,-2.71,;-.78,-1.84,;-1.12,-.34,;-2.46,.43,;-.16,.87,;1.38,.87,;2.34,-.34,;1.99,-1.84,;3.03,-3.1,;2.22,-4.41,;.72,-4.04,;-.55,-4.91,;.61,-2.51,;-.56,2.35,;-2.05,2.75,;-2.45,4.24,;-1.36,5.33,;.13,4.93,;.53,3.44,;-.96,3.1,;-.96,4.64,)| Show InChI InChI=1S/C18H22N4O/c1-12-8-14-10-19-22-7-6-21(18(23)15(9-12)17(14)22)16-11-20-4-2-13(16)3-5-20/h8-10,13,16H,2-7,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US9045501 (2015) BindingDB Entry DOI: 10.7270/Q2MK6BN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014553 (CHEMBL3261484) Show SMILES Cc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(32.02,-14.44,;33.35,-13.67,;33.36,-12.13,;34.68,-11.36,;34.44,-9.83,;32.97,-9.38,;35.5,-8.68,;37.04,-8.8,;37.91,-10.07,;37.47,-11.55,;38.4,-12.89,;37.49,-14.15,;36.02,-13.67,;34.69,-14.44,;36.02,-12.12,;34.94,-7.25,;33.41,-7.03,;32.85,-5.59,;33.81,-4.38,;35.33,-4.62,;35.89,-6.05,;34.94,-5.01,;34.17,-6.35,)| Show InChI InChI=1S/C18H22N4O/c1-12-8-14-10-19-22-7-6-21(18(23)15(9-12)17(14)22)16-11-20-4-2-13(16)3-5-20/h8-10,13,16H,2-7,11H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay				Bioorg Med Chem Lett 24: 2578-81 (2014) Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334452 ((R)-5-methyl-2-(quinuclidin-3-yl)-2,3-dihydropyrro...) Show SMILES Cn1cc2CN([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wU:6.5,(-3.65,-33.57,;-4.2,-32.13,;-3.17,-30.38,;-4.32,-29.35,;-4.32,-27.8,;-5.66,-27.04,;-5.66,-25.5,;-7,-24.74,;-6.99,-23.19,;-5.66,-22.42,;-4.33,-23.2,;-4.33,-24.73,;-5.83,-24.22,;-5.51,-23.59,;-6.98,-27.8,;-8.33,-27.02,;-6.99,-29.35,;-8.32,-30.12,;-8.32,-31.66,;-6.98,-32.43,;-5.66,-31.66,;-5.65,-30.12,)| Show InChI InChI=1S/C18H21N3O/c1-19-9-13-10-21(16-11-20-7-5-12(16)6-8-20)18(22)14-3-2-4-15(19)17(13)14/h2-4,9,12,16H,5-8,10-11H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329748 (CHEMBL1271791 | endo-2-((3S,5S)-3-ethyl-5-methylmo...) Show SMILES CC[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22| Show InChI InChI=1S/C24H34N4O3/c1-4-17-14-30-13-15(2)28(17)24-26-22-20(9-6-10-21(22)31-24)23(29)25-16-11-18-7-5-8-19(12-16)27(18)3/h6,9-10,15-19H,4-5,7-8,11-14H2,1-3H3,(H,25,29)/t15-,17-,18+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM99936 (US8501729, 32) Show SMILES O=C1N(CCc2cn(Cc3ccccc3)c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:21.24,(-4.69,1.64,;-3.2,1.24,;-2.15,2.37,;-.62,2.26,;.25,.99,;-.17,-.57,;.73,-1.82,;-.17,-3.06,;.23,-4.55,;1.71,-4.95,;2.11,-6.44,;3.6,-6.84,;4.69,-5.75,;4.29,-4.26,;2.8,-3.86,;-1.64,-2.59,;-2.97,-3.36,;-4.3,-2.59,;-4.3,-1.05,;-2.97,-.28,;-1.64,-1.05,;-2.55,3.86,;-4.04,4.26,;-4.44,5.75,;-3.35,6.84,;-1.86,6.44,;-1.46,4.95,;-2.95,4.61,;-2.95,6.15,)| Show InChI InChI=1S/C25H27N3O/c29-25-21-7-4-8-22-24(21)20(16-27(22)15-18-5-2-1-3-6-18)11-14-28(25)23-17-26-12-9-19(23)10-13-26/h1-8,16,19,23H,9-15,17H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM99935 (US8501729, 31) Show SMILES Cn1cc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:7.6,(2.58,-5.62,;1.81,-4.28,;2.71,-3.04,;1.81,-1.79,;2.23,-.23,;1.36,1.04,;-.18,1.15,;-.57,2.64,;-2.06,3.04,;-2.46,4.53,;-1.37,5.62,;.12,5.22,;.52,3.73,;-.97,3.39,;-.97,4.93,;-1.22,.03,;-2.71,.42,;-.99,-1.5,;-2.33,-2.27,;-2.33,-3.81,;-.99,-4.58,;.34,-3.81,;.34,-2.27,)| Show InChI InChI=1S/C19H23N3O/c1-20-11-14-7-10-22(17-12-21-8-5-13(17)6-9-21)19(23)15-3-2-4-16(20)18(14)15/h2-4,11,13,17H,5-10,12H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM99930 (US8501729, 25) Show SMILES CCn1nc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:8.7,(3.2,-5.89,;1.71,-5.49,;1.31,-4.01,;2.22,-2.76,;1.31,-1.52,;1.74,.04,;.87,1.32,;-.67,1.43,;-1.06,2.92,;-2.55,3.32,;-2.95,4.8,;-1.86,5.89,;-.37,5.49,;.02,4.01,;-1.46,3.66,;-1.46,5.2,;-1.71,.3,;-3.2,.7,;-1.48,-1.22,;-2.82,-1.99,;-2.82,-3.53,;-1.48,-4.3,;-.15,-3.53,;-.15,-1.99,)| Show InChI InChI=1S/C19H24N4O/c1-2-23-16-5-3-4-14-18(16)15(20-23)8-11-22(19(14)24)17-12-21-9-6-13(17)7-10-21/h3-5,13,17H,2,6-12H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM99926 (US8501729, 21) Show SMILES Brc1cc2[nH][nH]c3cn([C@H]4CN5CCC4CC5)c(=O)c(c1)c23 |r,wU:9.8,(-3.18,-5.01,;-1.85,-4.23,;-.51,-5,;.82,-4.23,;2.29,-4.71,;3.18,-3.32,;2.16,-1.92,;2.16,-.38,;.82,.39,;.82,1.93,;-.51,2.7,;-.51,4.24,;.82,5.01,;2.16,4.24,;2.16,2.7,;.56,2.7,;1.33,3.97,;-.51,-.38,;-1.85,.39,;-.51,-1.92,;-1.85,-2.69,;.82,-2.69,)| Show InChI InChI=1S/C16H15BrN4O/c17-10-5-11-15-12(6-10)18-19-13(15)7-21(16(11)22)14-8-20-3-1-9(14)2-4-20/h5-7,9,14H,1-4,8H2/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334445 ((S)-2-ethyl-7-(quinuclidin-3-yl)-7,8-dihydropyrazo...) Show SMILES CCn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:7.6,(47.4,-4.88,;48.37,-3.68,;47.82,-2.25,;48.85,-.5,;47.7,.54,;47.7,2.08,;46.36,2.85,;46.36,4.39,;45.02,5.15,;45.03,6.69,;46.36,7.46,;47.69,6.69,;47.69,5.16,;46.19,5.66,;46.5,6.3,;45.04,2.08,;43.69,2.87,;45.03,.54,;43.7,-.23,;43.7,-1.78,;45.04,-2.55,;46.36,-1.78,;46.36,-.23,)| Show InChI InChI=1S/C18H22N4O/c1-2-22-15-5-3-4-13-17(15)14(19-22)10-21(18(13)23)16-11-20-8-6-12(16)7-9-20/h3-5,10,12,16,19H,2,6-9,11H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334442 ((S)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...) Show SMILES Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:6.5,(21.53,-4.9,;20.98,-3.46,;22.01,-1.72,;20.85,-.68,;20.86,.86,;19.52,1.63,;19.51,3.17,;18.18,3.93,;18.18,5.47,;19.52,6.24,;20.85,5.47,;20.85,3.94,;19.34,4.44,;19.66,5.08,;18.19,.86,;16.85,1.65,;18.19,-.68,;16.86,-1.45,;16.85,-2.99,;18.19,-3.76,;19.52,-2.99,;19.52,-1.45,)| Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334453 ((S)-5-methyl-2-(quinuclidin-3-yl)-2,3-dihydropyrro...) Show SMILES Cn1cc2CN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:6.5,(4.39,-34,;3.85,-32.56,;4.88,-30.82,;3.72,-29.78,;3.73,-28.24,;2.39,-27.47,;2.38,-25.93,;1.05,-25.17,;1.05,-23.63,;2.39,-22.86,;3.72,-23.63,;3.72,-25.16,;2.21,-24.66,;2.53,-24.02,;1.06,-28.24,;-.28,-27.45,;1.06,-29.78,;-.27,-30.55,;-.28,-32.09,;1.06,-32.86,;2.39,-32.09,;2.39,-30.55,)| Show InChI InChI=1S/C18H21N3O/c1-19-9-13-10-21(16-11-20-7-5-12(16)6-8-20)18(22)14-3-2-4-15(19)17(13)14/h2-4,9,12,16H,5-8,10-11H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334445 ((S)-2-ethyl-7-(quinuclidin-3-yl)-7,8-dihydropyrazo...) Show SMILES CCn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:7.6,(47.4,-4.88,;48.37,-3.68,;47.82,-2.25,;48.85,-.5,;47.7,.54,;47.7,2.08,;46.36,2.85,;46.36,4.39,;45.02,5.15,;45.03,6.69,;46.36,7.46,;47.69,6.69,;47.69,5.16,;46.19,5.66,;46.5,6.3,;45.04,2.08,;43.69,2.87,;45.03,.54,;43.7,-.23,;43.7,-1.78,;45.04,-2.55,;46.36,-1.78,;46.36,-.23,)| Show InChI InChI=1S/C18H22N4O/c1-2-22-15-5-3-4-13-17(15)14(19-22)10-21(18(13)23)16-11-20-8-6-12(16)7-9-20/h3-5,10,12,16,19H,2,6-9,11H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334439 ((R)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...) Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:6.5,(12.29,-5.2,;11.75,-3.77,;12.77,-2.02,;11.62,-.98,;11.62,.56,;10.28,1.33,;10.28,2.87,;8.95,3.63,;8.95,5.17,;10.28,5.94,;11.61,5.17,;11.61,3.64,;10.11,4.14,;10.43,4.78,;8.96,.56,;7.61,1.35,;8.96,-.99,;7.62,-1.76,;7.62,-3.3,;8.96,-4.07,;10.29,-3.3,;10.29,-1.75,)| Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334444 ((R)-2-ethyl-7-(quinuclidin-3-yl)-7,8-dihydropyrazo...) Show SMILES CCn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:7.6,(39.2,-5.65,;40.17,-4.46,;39.63,-3.02,;40.65,-1.27,;39.5,-.24,;39.5,1.31,;38.16,2.07,;38.16,3.61,;36.83,4.37,;36.83,5.92,;38.16,6.69,;39.49,5.91,;39.49,4.38,;37.99,4.89,;38.31,5.52,;36.84,1.31,;35.49,2.09,;36.84,-.24,;35.5,-1.01,;35.5,-2.55,;36.84,-3.32,;38.16,-2.55,;38.17,-1.01,)| Show InChI InChI=1S/C18H22N4O/c1-2-22-15-5-3-4-13-17(15)14(19-22)10-21(18(13)23)16-11-20-8-6-12(16)7-9-20/h3-5,10,12,16,19H,2,6-9,11H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334443 ((R)-4-fluoro-2-methyl-7-(quinuclidin-3-yl)-7,8-dih...) Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cc(F)cc1c23 |r,wU:6.5,(31.37,-5.57,;30.82,-4.13,;31.85,-2.38,;30.7,-1.35,;30.7,.2,;29.36,.96,;29.36,2.5,;28.02,3.26,;28.03,4.81,;29.36,5.58,;30.69,4.8,;30.69,3.27,;29.19,3.77,;29.51,4.41,;28.04,.2,;26.69,.98,;28.03,-1.35,;26.7,-2.12,;26.7,-3.66,;25.37,-4.43,;28.04,-4.43,;29.36,-3.66,;29.37,-2.12,)| Show InChI InChI=1S/C17H19FN4O/c1-20-14-7-11(18)6-12-16(14)13(19-20)8-22(17(12)23)15-9-21-4-2-10(15)3-5-21/h6-8,10,15,19H,2-5,9H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM99929 (US8501729, 24) Show SMILES Cn1nc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:7.6,(2.58,-5.62,;1.81,-4.28,;2.71,-3.04,;1.81,-1.79,;2.23,-.23,;1.36,1.04,;-.18,1.15,;-.57,2.64,;-2.06,3.04,;-2.46,4.53,;-1.37,5.62,;.12,5.22,;.52,3.73,;-.97,3.39,;-.97,4.93,;-1.22,.03,;-2.71,.42,;-.99,-1.5,;-2.33,-2.27,;-2.33,-3.81,;-.99,-4.58,;.34,-3.81,;.34,-2.27,)| Show InChI InChI=1S/C18H22N4O/c1-20-15-4-2-3-13-17(15)14(19-20)7-10-22(18(13)23)16-11-21-8-5-12(16)6-9-21/h2-4,12,16H,5-11H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM160717 (US9045501, 12) Show SMILES Oc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.03,-5.33,;-1.94,-4.24,;-2.05,-2.71,;-.78,-1.84,;-1.12,-.34,;-2.46,.43,;-.16,.87,;1.38,.87,;2.34,-.34,;1.99,-1.84,;3.03,-3.1,;2.22,-4.41,;.72,-4.04,;-.55,-4.91,;.61,-2.51,;-.56,2.35,;-2.05,2.75,;-2.45,4.24,;-1.36,5.33,;.13,4.93,;.53,3.44,;-.96,3.1,;-.96,4.64,)| Show InChI InChI=1S/C17H20N4O2/c22-13-7-12-9-18-21-6-5-20(17(23)14(8-13)16(12)21)15-10-19-3-1-11(15)2-4-19/h7-9,11,15,22H,1-6,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US9045501 (2015) BindingDB Entry DOI: 10.7270/Q2MK6BN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM99931 (US8501729, 26) Show SMILES CC(C)n1nc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:9.8,(3.2,-5.55,;1.71,-5.15,;.62,-6.24,;1.31,-3.66,;2.22,-2.42,;1.31,-1.17,;1.74,.39,;.87,1.66,;-.67,1.78,;-1.06,3.26,;-2.55,3.66,;-2.95,5.15,;-1.86,6.24,;-.37,5.84,;.02,4.35,;-1.46,4.01,;-1.46,5.55,;-1.71,.65,;-3.2,1.05,;-1.48,-.88,;-2.82,-1.65,;-2.82,-3.19,;-1.48,-3.96,;-.15,-3.19,;-.15,-1.65,)| Show InChI InChI=1S/C20H26N4O/c1-13(2)24-17-5-3-4-15-19(17)16(21-24)8-11-23(20(15)25)18-12-22-9-6-14(18)7-10-22/h3-5,13-14,18H,6-12H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM99932 (US8501729, 27) Show SMILES O=C1N(CCc2nn(Cc3ccccc3)c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:21.24,(-4.69,1.64,;-3.2,1.24,;-2.15,2.37,;-.62,2.26,;.25,.99,;-.17,-.57,;.73,-1.82,;-.17,-3.06,;.23,-4.55,;1.71,-4.95,;2.11,-6.44,;3.6,-6.84,;4.69,-5.75,;4.29,-4.26,;2.8,-3.86,;-1.64,-2.59,;-2.97,-3.36,;-4.3,-2.59,;-4.3,-1.05,;-2.97,-.28,;-1.64,-1.05,;-2.55,3.86,;-4.04,4.26,;-4.44,5.75,;-3.35,6.84,;-1.86,6.44,;-1.46,4.95,;-2.58,5.99,;-3.35,4.66,)| Show InChI InChI=1S/C24H26N4O/c29-24-19-7-4-8-21-23(19)20(25-28(21)15-17-5-2-1-3-6-17)11-14-27(24)22-16-26-12-9-18(22)10-13-26/h1-8,18,22H,9-16H2/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334443 ((R)-4-fluoro-2-methyl-7-(quinuclidin-3-yl)-7,8-dih...) Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cc(F)cc1c23 |r,wU:6.5,(31.37,-5.57,;30.82,-4.13,;31.85,-2.38,;30.7,-1.35,;30.7,.2,;29.36,.96,;29.36,2.5,;28.02,3.26,;28.03,4.81,;29.36,5.58,;30.69,4.8,;30.69,3.27,;29.19,3.77,;29.51,4.41,;28.04,.2,;26.69,.98,;28.03,-1.35,;26.7,-2.12,;26.7,-3.66,;25.37,-4.43,;28.04,-4.43,;29.36,-3.66,;29.37,-2.12,)| Show InChI InChI=1S/C17H19FN4O/c1-20-14-7-11(18)6-12-16(14)13(19-20)8-22(17(12)23)15-9-21-4-2-10(15)3-5-21/h6-8,10,15,19H,2-5,9H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334448 ((S)-2-isobutyl-7-(quinuclidin-3-yl)-7,8-dihydropyr...) Show SMILES CC(C)Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:9.8,(15.89,-21.07,;15.34,-19.64,;13.82,-19.39,;16.31,-18.44,;15.77,-17.01,;16.79,-15.26,;15.64,-14.22,;15.64,-12.68,;14.3,-11.91,;14.3,-10.37,;12.97,-9.61,;12.97,-8.07,;14.3,-7.3,;15.63,-8.07,;15.63,-9.6,;14.13,-9.1,;14.45,-8.46,;12.98,-12.68,;11.63,-11.89,;12.98,-14.22,;11.64,-14.99,;11.64,-16.54,;12.98,-17.31,;14.31,-16.54,;14.31,-14.99,)| Show InChI InChI=1S/C20H26N4O/c1-13(2)10-24-17-5-3-4-15-19(17)16(21-24)11-23(20(15)25)18-12-22-8-6-14(18)7-9-22/h3-5,11,13-14,18,21H,6-10,12H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334439 ((R)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...) Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:6.5,(12.29,-5.2,;11.75,-3.77,;12.77,-2.02,;11.62,-.98,;11.62,.56,;10.28,1.33,;10.28,2.87,;8.95,3.63,;8.95,5.17,;10.28,5.94,;11.61,5.17,;11.61,3.64,;10.11,4.14,;10.43,4.78,;8.96,.56,;7.61,1.35,;8.96,-.99,;7.62,-1.76,;7.62,-3.3,;8.96,-4.07,;10.29,-3.3,;10.29,-1.75,)| Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM160732 (US9045501, 29) Show SMILES O=C1N(CC23CCN(CC2)CC3)Cc2n[nH]c3cccc1c23 Show InChI InChI=1S/C17H20N4O/c22-16-12-2-1-3-13-15(12)14(19-18-13)10-21(16)11-17-4-7-20(8-5-17)9-6-17/h1-3H,4-11H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US9045501 (2015) BindingDB Entry DOI: 10.7270/Q2MK6BN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329745 (CHEMBL1271730 | endo-2-((S)-3-tert-butylmorpholino...) Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOC[C@@H]1C(C)(C)C |r,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C25H36N4O3/c1-25(2,3)21-15-31-12-11-29(21)24-27-22-19(9-6-10-20(22)32-24)23(30)26-16-13-17-7-5-8-18(14-16)28(17)4/h6,9-10,16-18,21H,5,7-8,11-15H2,1-4H3,(H,26,30)/t17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334447 ((S)-2-isopropyl-7-(quinuclidin-3-yl)-7,8-dihydropy...) Show SMILES CC(C)n1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:8.7,(5.55,-19.44,;6.52,-18.25,;8.03,-18.49,;5.97,-16.81,;7,-15.06,;5.85,-14.02,;5.85,-12.48,;4.51,-11.71,;4.5,-10.18,;3.17,-9.41,;3.17,-7.87,;4.51,-7.1,;5.84,-7.87,;5.84,-9.4,;4.33,-8.9,;4.65,-8.27,;3.18,-12.48,;1.84,-11.7,;3.18,-14.03,;1.85,-14.8,;1.84,-16.34,;3.18,-17.11,;4.51,-16.34,;4.51,-14.8,)| Show InChI InChI=1S/C19H24N4O/c1-12(2)23-16-5-3-4-14-18(16)15(20-23)10-22(19(14)24)17-11-21-8-6-13(17)7-9-21/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334444 ((R)-2-ethyl-7-(quinuclidin-3-yl)-7,8-dihydropyrazo...) Show SMILES CCn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:7.6,(39.2,-5.65,;40.17,-4.46,;39.63,-3.02,;40.65,-1.27,;39.5,-.24,;39.5,1.31,;38.16,2.07,;38.16,3.61,;36.83,4.37,;36.83,5.92,;38.16,6.69,;39.49,5.91,;39.49,4.38,;37.99,4.89,;38.31,5.52,;36.84,1.31,;35.49,2.09,;36.84,-.24,;35.5,-1.01,;35.5,-2.55,;36.84,-3.32,;38.16,-2.55,;38.17,-1.01,)| Show InChI InChI=1S/C18H22N4O/c1-2-22-15-5-3-4-13-17(15)14(19-22)10-21(18(13)23)16-11-20-8-6-12(16)7-9-20/h3-5,10,12,16,19H,2,6-9,11H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334447 ((S)-2-isopropyl-7-(quinuclidin-3-yl)-7,8-dihydropy...) Show SMILES CC(C)n1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:8.7,(5.55,-19.44,;6.52,-18.25,;8.03,-18.49,;5.97,-16.81,;7,-15.06,;5.85,-14.02,;5.85,-12.48,;4.51,-11.71,;4.5,-10.18,;3.17,-9.41,;3.17,-7.87,;4.51,-7.1,;5.84,-7.87,;5.84,-9.4,;4.33,-8.9,;4.65,-8.27,;3.18,-12.48,;1.84,-11.7,;3.18,-14.03,;1.85,-14.8,;1.84,-16.34,;3.18,-17.11,;4.51,-16.34,;4.51,-14.8,)| Show InChI InChI=1S/C19H24N4O/c1-12(2)23-16-5-3-4-14-18(16)15(20-23)10-22(19(14)24)17-11-21-8-6-13(17)7-9-21/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334448 ((S)-2-isobutyl-7-(quinuclidin-3-yl)-7,8-dihydropyr...) Show SMILES CC(C)Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wD:9.8,(15.89,-21.07,;15.34,-19.64,;13.82,-19.39,;16.31,-18.44,;15.77,-17.01,;16.79,-15.26,;15.64,-14.22,;15.64,-12.68,;14.3,-11.91,;14.3,-10.37,;12.97,-9.61,;12.97,-8.07,;14.3,-7.3,;15.63,-8.07,;15.63,-9.6,;14.13,-9.1,;14.45,-8.46,;12.98,-12.68,;11.63,-11.89,;12.98,-14.22,;11.64,-14.99,;11.64,-16.54,;12.98,-17.31,;14.31,-16.54,;14.31,-14.99,)| Show InChI InChI=1S/C20H26N4O/c1-13(2)10-24-17-5-3-4-15-19(17)16(21-24)11-23(20(15)25)18-12-22-8-6-14(18)7-9-22/h3-5,11,13-14,18,21H,6-10,12H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329724 (CHEMBL1271960 | endo-2-((2S,6S)-2,6-dimethylpipera...) Show SMILES C[C@H]1CNC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C23H33N5O2/c1-14-12-24-13-15(2)28(14)23-26-21-19(8-5-9-20(21)30-23)22(29)25-16-10-17-6-4-7-18(11-16)27(17)3/h5,8-9,14-18,24H,4,6-7,10-13H2,1-3H3,(H,25,29)/t14-,15-,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334446 ((R)-2-isopropyl-7-(quinuclidin-3-yl)-7,8-dihydropy...) Show SMILES CC(C)n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:8.7,(-3.99,-20.22,;-3.02,-19.03,;-1.5,-19.27,;-3.56,-17.59,;-2.53,-15.84,;-3.69,-14.8,;-3.68,-13.26,;-5.02,-12.49,;-5.03,-10.95,;-6.36,-10.19,;-6.36,-8.65,;-5.02,-7.88,;-3.69,-8.65,;-3.69,-10.18,;-5.2,-9.68,;-4.88,-9.04,;-6.35,-13.26,;-7.7,-12.48,;-6.35,-14.81,;-7.69,-15.58,;-7.69,-17.12,;-6.35,-17.89,;-5.02,-17.12,;-5.02,-15.58,)| Show InChI InChI=1S/C19H24N4O/c1-12(2)23-16-5-3-4-14-18(16)15(20-23)10-22(19(14)24)17-11-21-8-6-13(17)7-9-21/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM99934 (US8501729, 29) Show SMILES O=C1N(CCc2n[nH]c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(-7.62,1.93,;-6.13,1.53,;-5.09,2.66,;-3.55,2.55,;-2.68,1.27,;-3.11,-.28,;-2.2,-1.53,;-3.11,-2.78,;-4.57,-2.3,;-5.9,-3.07,;-7.24,-2.3,;-7.24,-.76,;-5.9,.01,;-4.57,-.76,;-5.48,4.15,;-6.97,4.55,;-7.37,6.04,;-6.28,7.12,;-4.79,6.73,;-4.4,5.24,;-5.88,4.89,;-5.88,6.43,)| Show InChI InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014548 (CHEMBL3261479 | US9045501, 2) Show SMILES O=C1N(CCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)| Show InChI InChI=1S/C18H21N3O/c22-18-15-3-1-2-14-6-9-20(17(14)15)10-11-21(18)16-12-19-7-4-13(16)5-8-19/h1-3,6,9,13,16H,4-5,7-8,10-12H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay				Bioorg Med Chem Lett 24: 2578-81 (2014) Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329744 (CHEMBL1271678 | endo-2-((S)-3-isobutylmorpholino)-...) Show SMILES CC(C)C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:31:30:25.26.27:29.22.23| Show InChI InChI=1S/C25H36N4O3/c1-16(2)12-20-15-31-11-10-29(20)25-27-23-21(8-5-9-22(23)32-25)24(30)26-17-13-18-6-4-7-19(14-17)28(18)3/h5,8-9,16-20H,4,6-7,10-15H2,1-3H3,(H,26,30)/t18-,19-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334446 ((R)-2-isopropyl-7-(quinuclidin-3-yl)-7,8-dihydropy...) Show SMILES CC(C)n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:8.7,(-3.99,-20.22,;-3.02,-19.03,;-1.5,-19.27,;-3.56,-17.59,;-2.53,-15.84,;-3.69,-14.8,;-3.68,-13.26,;-5.02,-12.49,;-5.03,-10.95,;-6.36,-10.19,;-6.36,-8.65,;-5.02,-7.88,;-3.69,-8.65,;-3.69,-10.18,;-5.2,-9.68,;-4.88,-9.04,;-6.35,-13.26,;-7.7,-12.48,;-6.35,-14.81,;-7.69,-15.58,;-7.69,-17.12,;-6.35,-17.89,;-5.02,-17.12,;-5.02,-15.58,)| Show InChI InChI=1S/C19H24N4O/c1-12(2)23-16-5-3-4-14-18(16)15(20-23)10-22(19(14)24)17-11-21-8-6-13(17)7-9-21/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329742 (CHEMBL1271629 | endo-N-((1R,5R)-9-methyl-9-azabicy...) Show SMILES CCC[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22| Show InChI InChI=1S/C24H34N4O3/c1-3-6-19-15-30-12-11-28(19)24-26-22-20(9-5-10-21(22)31-24)23(29)25-16-13-17-7-4-8-18(14-16)27(17)2/h5,9-10,16-19H,3-4,6-8,11-15H2,1-2H3,(H,25,29)/t17-,18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM99928 (US8501729, 23) Show SMILES O=C1N(CCc2n[nH]c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(-2.66,-.09,;-1.17,-.49,;-.45,.87,;1.04,1.16,;2.28,.16,;2.33,-1.46,;3.53,-2.43,;2.98,-3.87,;1.44,-3.79,;.35,-4.87,;-1.14,-4.48,;-1.54,-2.99,;-.45,-1.9,;1.04,-2.3,;-1.22,2.21,;-2.76,2.21,;-3.53,3.54,;-2.76,4.87,;-1.22,4.87,;-.45,3.54,;-1.8,2.82,;-2.19,4.31,)| Show InChI InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair				3D Structure (crystal)

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