Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'lapaglia' and Initial = 'a'   

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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29864 (N-(Pyridin-2-yl) arylsulfonamide, 26) Show SMILES Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	<1	<-50.9	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29863 (N-(Pyridin-2-yl) arylsulfonamide, 25) Show SMILES CC(C)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C21H19N3O2S/c1-15(2)20-4-3-5-21(23-20)24-27(25,26)19-12-10-18(11-13-19)17-8-6-16(14-22)7-9-17/h3-13,15H,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	-49.6	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29862 (N-(Pyridin-2-yl) arylsulfonamide, 24) Show SMILES O=S(=O)(Nc1cccc(n1)C1CC1)c1ccc(cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H17N3O2S/c22-14-15-4-6-16(7-5-15)17-10-12-19(13-11-17)27(25,26)24-21-3-1-2-20(23-21)18-8-9-18/h1-7,10-13,18H,8-9H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	-49.3	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29860 (N-(Pyridin-2-yl) arylsulfonamide, 22) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C19H15N3O2S/c1-14-3-2-4-19(21-14)22-25(23,24)18-11-9-17(10-12-18)16-7-5-15(13-20)6-8-16/h2-12H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29866 (N-(Pyridin-2-yl) arylsulfonamide, 28) Show SMILES CCNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C20H18N4O2S/c1-2-22-19-4-3-5-20(23-19)24-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	-47.0	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29858 (N-(Pyridin-2-yl) arylsulfonamide, 20) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H15ClN2O2S/c1-13-3-2-4-18(20-13)21-24(22,23)17-11-7-15(8-12-17)14-5-9-16(19)10-6-14/h2-12H,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	-46.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29861 (N-(Pyridin-2-yl) arylsulfonamide, 23) Show SMILES CCc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C20H17N3O2S/c1-2-18-4-3-5-20(22-18)23-26(24,25)19-12-10-17(11-13-19)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.60	-46.2	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29865 (N-(Pyridin-2-yl) arylsulfonamide, 27) Show SMILES CNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C19H16N4O2S/c1-21-18-3-2-4-19(22-18)23-26(24,25)17-11-9-16(10-12-17)15-7-5-14(13-20)6-8-15/h2-12H,1H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.80	-45.3	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29857 (N-(Pyridin-2-yl) arylsulfonamide, 19) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(F)cc2)n1 Show InChI InChI=1S/C18H15FN2O2S/c1-13-3-2-4-18(20-13)21-24(22,23)17-11-7-15(8-12-17)14-5-9-16(19)10-6-14/h2-12H,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	20	-43.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29856 (N-(Pyridin-2-yl) arylsulfonamide, 18) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C18H16N2O2S/c1-14-6-5-9-18(19-14)20-23(21,22)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	48	-41.4	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29859 (N-(Pyridin-2-yl) arylsulfonamide, 21) Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C19H18N2O2S/c1-14-6-8-16(9-7-14)17-10-12-18(13-11-17)24(22,23)21-19-5-3-4-15(2)20-19/h3-13H,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	62	-40.7	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29854 (N-(Pyridin-2-yl) arylsulfonamide, 16) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)n1 Show InChI InChI=1S/C16H14N2O2S/c1-12-5-4-8-16(17-12)18-21(19,20)15-10-9-13-6-2-3-7-14(13)11-15/h2-11H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	84	-40.0	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29850 (N-(Pyridin-2-yl) arylsulfonamide, 12) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C13H11F3N2O2S/c1-9-3-2-4-12(17-9)18-21(19,20)11-7-5-10(6-8-11)13(14,15)16/h2-8H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	108	-39.4	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29849 (N-(Pyridin-2-yl) arylsulfonamide, 11) Show SMILES Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1 Show InChI InChI=1S/C13H13ClN2O2S/c1-9-5-3-8-13(15-9)16-19(17,18)12-7-4-6-11(14)10(12)2/h3-8H,1-2H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	169	-38.3	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29843 (N-(Pyridin-2-yl) arylsulfonamide, 3) Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCCCC2)n1 Show InChI InChI=1S/C19H22ClN3O3S/c1-14-16(20)8-6-9-17(14)27(25,26)22-18-10-5-7-15(21-18)13-19(24)23-11-3-2-4-12-23/h5-10H,2-4,11-13H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	169	-38.3	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29841 (N-(Pyridin-2-yl) arylsulfonamide, 1) Show SMILES CCN(CC)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1 Show InChI InChI=1S/C18H22ClN3O3S/c1-4-22(5-2)18(23)12-14-8-6-11-17(20-14)21-26(24,25)16-10-7-9-15(19)13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	287	-37.0	n/a	n/a	n/a	n/a	n/a	8.0	22
Pfizer					Assay Description The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...				Bioorg Med Chem Lett 19: 3493-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.011 BindingDB Entry DOI: 10.7270/Q2SB4428
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50295294 ((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...) Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330813 (3-[(1S,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...) Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50295294 ((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...) Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers SquibbPharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4031-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50295294 ((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...) Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers SquibbPharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4031-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173715 ((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers SquibbPharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4031-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330844 (3-[(1R,3S)-3-Dimethylaminocyclopentyl]-1H-indole-5...) Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330813 (3-[(1S,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...) Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173715 ((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173715 ((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes				Bioorg Med Chem Lett 23: 2948-50 (2013) Article DOI: 10.1016/j.bmcl.2013.03.045 BindingDB Entry DOI: 10.7270/Q2BC42G4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330814 (CHEMBL1275791 | [(1R,3S)-3-(5-Fluoro-1H-indol-3-yl...) Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r| Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209168 ((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...) Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers SquibbPharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4031-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330843 (3-[(1S,3S)-3-Dimethylaminocyclopentyl]-1H-indole-5...) Show SMILES CN(C)[C@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50295296 (CHEMBL539470 | cis-3-((1R,2S)-2-((dimethylamino)me...) Show SMILES CN(C)C[C@H]1CCC[C@H]1c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes				Bioorg Med Chem Lett 23: 2948-50 (2013) Article DOI: 10.1016/j.bmcl.2013.03.045 BindingDB Entry DOI: 10.7270/Q2BC42G4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50295295 ((+/-)-cis-3-(2-((dimethylamino)methyl)cyclopentyl)...) Show SMILES CN(C)C[C@@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers SquibbPharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4031-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50295295 ((+/-)-cis-3-(2-((dimethylamino)methyl)cyclopentyl)...) Show SMILES CN(C)C[C@@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers SquibbPharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4031-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.026 BindingDB Entry DOI: 10.7270/Q2Q81D3K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330845 (3-[(1R,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...) Show SMILES CN(C)[C@@H]1CC[C@H](C1)c1c[nH]c2ccc(cc12)C#N |r| Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330823 (3-(7-chloro-1H-indol-3-yl)-N,N-dimethylcyclopentan...) Show SMILES CN(C)C1CCC(C1)c1c[nH]c2c(Cl)cccc12 Show InChI InChI=1S/C15H19ClN2/c1-18(2)11-7-6-10(8-11)13-9-17-15-12(13)4-3-5-14(15)16/h3-5,9-11,17H,6-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330824 (3-(7-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentana...) Show SMILES CN(C)C1CCC(C1)c1c[nH]c2c(Br)cccc12 Show InChI InChI=1S/C15H19BrN2/c1-18(2)11-7-6-10(8-11)13-9-17-15-12(13)4-3-5-14(15)16/h3-5,9-11,17H,6-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330831 (3-(3-(ethyl(methyl)amino)cyclopentyl)-1H-indole-5-...) Show SMILES CCN(C)C1CCC(C1)c1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C17H21N3/c1-3-20(2)14-6-5-13(9-14)16-11-19-17-7-4-12(10-18)8-15(16)17/h4,7-8,11,13-14,19H,3,5-6,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330814 (CHEMBL1275791 | [(1R,3S)-3-(5-Fluoro-1H-indol-3-yl...) Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r| Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50162700 (3-(3-(dimethylamino)propyl)-1H-indole-5-carbonitri...) Show SMILES CN(C)CCCc1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C14H17N3/c1-17(2)7-3-4-12-10-16-14-6-5-11(9-15)8-13(12)14/h5-6,8,10,16H,3-4,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330847 (CHEMBL1275793 | [(1S,3R)-3-(5-Fluoro-1H-indol-3-yl...) Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(F)cc12 |r| Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330848 (CHEMBL1275794 | [(1R,3R)-3-(5-Fluoro-1H-indol-3-yl...) Show SMILES CN(C)[C@@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r| Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330842 (5-fluoro-3-(3-(pyrrolidin-1-yl)cyclopentyl)-1H-ind...) Show SMILES Fc1ccc2[nH]cc(C3CCC(C3)N3CCCC3)c2c1 Show InChI InChI=1S/C17H21FN2/c18-13-4-6-17-15(10-13)16(11-19-17)12-3-5-14(9-12)20-7-1-2-8-20/h4,6,10-12,14,19H,1-3,5,7-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330817 (3-(5-chloro-1H-indol-3-yl)-N,N-dimethylcyclopentan...) Show SMILES CN(C)C1CCC(C1)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C15H19ClN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330835 (3-(3-(pyrrolidin-1-yl)cyclopentyl)-1H-indole-5-car...) Show SMILES N#Cc1ccc2[nH]cc(C3CCC(C3)N3CCCC3)c2c1 Show InChI InChI=1S/C18H21N3/c19-11-13-3-6-18-16(9-13)17(12-20-18)14-4-5-15(10-14)21-7-1-2-8-21/h3,6,9,12,14-15,20H,1-2,4-5,7-8,10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330822 (3-(7-fluoro-1H-indol-3-yl)-N,N-dimethylcyclopentan...) Show SMILES CN(C)C1CCC(C1)c1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C15H19FN2/c1-18(2)11-7-6-10(8-11)13-9-17-15-12(13)4-3-5-14(15)16/h3-5,9-11,17H,6-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330840 (CHEMBL1275671 | N-ethyl-3-(5-fluoro-1H-indol-3-yl)...) Show SMILES CCN(C)C1CCC(C1)c1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C16H21FN2/c1-3-19(2)13-6-4-11(8-13)15-10-18-16-7-5-12(17)9-14(15)16/h5,7,9-11,13,18H,3-4,6,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50491389 (CHEMBL2380980) Show SMILES CN(C)C[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r| Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-15(13)12-6-7-17-16(8-12)14(9-18)10-19-17/h6-8,10,13,15,19H,3-5,11H2,1-2H3/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes				Bioorg Med Chem Lett 23: 2948-50 (2013) Article DOI: 10.1016/j.bmcl.2013.03.045 BindingDB Entry DOI: 10.7270/Q2BC42G4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50491388 (CHEMBL2380975) Show SMILES CNC[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r| Show InChI InChI=1S/C16H19N3/c1-18-9-12-3-2-4-14(12)11-5-6-16-15(7-11)13(8-17)10-19-16/h5-7,10,12,14,18-19H,2-4,9H2,1H3/t12-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes				Bioorg Med Chem Lett 23: 2948-50 (2013) Article DOI: 10.1016/j.bmcl.2013.03.045 BindingDB Entry DOI: 10.7270/Q2BC42G4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330818 (3-(5-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentana...) Show SMILES CN(C)C1CCC(C1)c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C15H19BrN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330819 (3-(6-fluoro-1H-indol-3-yl)-N,N-dimethylcyclopentan...) Show SMILES CN(C)C1CCC(C1)c1c[nH]c2cc(F)ccc12 Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330833 (3-(3-(benzyl(methyl)amino)cyclopentyl)-1H-indole-5...) Show SMILES CN(Cc1ccccc1)C1CCC(C1)c1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C22H23N3/c1-25(15-16-5-3-2-4-6-16)19-9-8-18(12-19)21-14-24-22-10-7-17(13-23)11-20(21)22/h2-7,10-11,14,18-19,24H,8-9,12,15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330816 (3-(4-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentana...) Show SMILES CN(C)C1CCC(C1)c1c[nH]c2cccc(Br)c12 Show InChI InChI=1S/C15H19BrN2/c1-18(2)11-7-6-10(8-11)12-9-17-14-5-3-4-13(16)15(12)14/h3-5,9-11,17H,6-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 53: 7564-72 (2010) Article DOI: 10.1021/jm100515z BindingDB Entry DOI: 10.7270/Q25B02QV
					More data for this Ligand-Target Pair

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