Compile Data Set for Download or QSAR

Found 218 hits with Last Name = 'jensen' and Initial = 'hh'   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304053 (CHEMBL595677 | methyl 8-methyl-3-(4-(thiophen-3-yl...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:11:10:22:6.7,THB:2:4:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3/t16?,17-,18?,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304049 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:39:38:46:34.35,16:6:1:3.4,THB:9:7:1:3.4,30:32:46:34.35| Show InChI InChI=1S/C39H49Cl2N5O4/c1-44-30-15-17-34(44)36(32(21-30)25-7-11-27(40)12-8-25)38(47)49-20-6-4-3-5-19-46-23-29(42-43-46)24-50-39(48)37-33(26-9-13-28(41)14-10-26)22-31-16-18-35(37)45(31)2/h7-14,23,30-37H,3-6,15-22,24H2,1-2H3/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304049 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:39:38:46:34.35,16:6:1:3.4,THB:9:7:1:3.4,30:32:46:34.35| Show InChI InChI=1S/C39H49Cl2N5O4/c1-44-30-15-17-34(44)36(32(21-30)25-7-11-27(40)12-8-25)38(47)49-20-6-4-3-5-19-46-23-29(42-43-46)24-50-39(48)37-33(26-9-13-28(41)14-10-26)22-31-16-18-35(37)45(31)2/h7-14,23,30-37H,3-6,15-22,24H2,1-2H3/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304053 (CHEMBL595677 | methyl 8-methyl-3-(4-(thiophen-3-yl...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:11:10:22:6.7,THB:2:4:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3/t16?,17-,18?,19+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304045 (CHEMBL608703 | methyl 3-(4-chlorophenyl)-8-methyl-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12?,13-,14?,15+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304046 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:40:39:47:35.36,16:6:1:3.4,THB:9:7:1:3.4,31:33:47:35.36| Show InChI InChI=1S/C40H51Cl2N5O4/c1-45-31-16-18-35(45)37(33(22-31)26-8-12-28(41)13-9-26)39(48)50-21-7-5-3-4-6-20-47-24-30(43-44-47)25-51-40(49)38-34(27-10-14-29(42)15-11-27)23-32-17-19-36(38)46(32)2/h8-15,24,31-38H,3-7,16-23,25H2,1-2H3/t31?,32?,33-,34-,35?,36?,37-,38+/m1/s1	PDB 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
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM22166 (3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304046 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:40:39:47:35.36,16:6:1:3.4,THB:9:7:1:3.4,31:33:47:35.36| Show InChI InChI=1S/C40H51Cl2N5O4/c1-45-31-16-18-35(45)37(33(22-31)26-8-12-28(41)13-9-26)39(48)50-21-7-5-3-4-6-20-47-24-30(43-44-47)25-51-40(49)38-34(27-10-14-29(42)15-11-27)23-32-17-19-36(38)46(32)2/h8-15,24,31-38H,3-7,16-23,25H2,1-2H3/t31?,32?,33-,34-,35?,36?,37-,38+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM22166 (3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304047 (1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-ox...) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCn1ccnn1 |r,TLB:16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C22H29ClN4O2/c1-26-18-9-10-20(26)21(19(15-18)16-5-7-17(23)8-6-16)22(28)29-14-4-2-3-12-27-13-11-24-25-27/h5-8,11,13,18-21H,2-4,9-10,12,14-15H2,1H3/t18?,19-,20?,21+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of human SERT I179C mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304048 (1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,35:34:42:30.31,THB:9:7:1:3.4,26:28:42:30.31| Show InChI InChI=1S/C38H44Cl2N4O2/c1-43-29-15-17-33(43)35(31(21-29)24-5-9-26(39)10-6-24)37(45)41-20-19-23-3-13-28(14-4-23)42-38(46)36-32(25-7-11-27(40)12-8-25)22-30-16-18-34(36)44(30)2/h3-14,29-36H,15-22H2,1-2H3,(H,41,45)(H,42,46)/t29?,30?,31-,32-,33?,34?,35-,36+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50304049 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:39:38:46:34.35,16:6:1:3.4,THB:9:7:1:3.4,30:32:46:34.35| Show InChI InChI=1S/C39H49Cl2N5O4/c1-44-30-15-17-34(44)36(32(21-30)25-7-11-27(40)12-8-25)38(47)49-20-6-4-3-5-19-46-23-29(42-43-46)24-50-39(48)37-33(26-9-13-28(41)14-10-26)22-31-16-18-35(37)45(31)2/h7-14,23,30-37H,3-6,15-22,24H2,1-2H3/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304050 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:35:34:42:30.31,16:6:1:3.4,THB:9:7:1:3.4,26:28:42:30.31| Show InChI InChI=1S/C35H41Cl2N5O4/c1-40-26-11-13-30(40)32(28(17-26)21-3-7-23(36)8-4-21)34(43)45-16-15-42-19-25(38-39-42)20-46-35(44)33-29(22-5-9-24(37)10-6-22)18-27-12-14-31(33)41(27)2/h3-10,19,26-33H,11-18,20H2,1-2H3/t26?,27?,28-,29-,30?,31?,32-,33+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22166 (3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50304046 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:40:39:47:35.36,16:6:1:3.4,THB:9:7:1:3.4,31:33:47:35.36| Show InChI InChI=1S/C40H51Cl2N5O4/c1-45-31-16-18-35(45)37(33(22-31)26-8-12-28(41)13-9-26)39(48)50-21-7-5-3-4-6-20-47-24-30(43-44-47)25-51-40(49)38-34(27-10-14-29(42)15-11-27)23-32-17-19-36(38)46(32)2/h8-15,24,31-38H,3-7,16-23,25H2,1-2H3/t31?,32?,33-,34-,35?,36?,37-,38+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304047 (1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-ox...) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCn1ccnn1 |r,TLB:16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C22H29ClN4O2/c1-26-18-9-10-20(26)21(19(15-18)16-5-7-17(23)8-6-16)22(28)29-14-4-2-3-12-27-13-11-24-25-27/h5-8,11,13,18-21H,2-4,9-10,12,14-15H2,1H3/t18?,19-,20?,21+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304051 (1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:36:35:43:31.32,16:6:1:3.4,THB:9:7:1:3.4,27:29:43:31.32| Show InChI InChI=1S/C39H46Cl2N4O2/c1-44-30-15-17-34(44)36(32(21-30)26-7-11-28(40)12-8-26)38(46)42-20-19-24-3-5-25(6-4-24)23-43-39(47)37-33(27-9-13-29(41)14-10-27)22-31-16-18-35(37)45(31)2/h3-14,30-37H,15-23H2,1-2H3,(H,42,46)(H,43,47)/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304045 (CHEMBL608703 | methyl 3-(4-chlorophenyl)-8-methyl-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12?,13-,14?,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304052 (1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,34:33:41:29.30,THB:9:7:1:3.4,25:27:41:29.30| Show InChI InChI=1S/C37H42Cl2N4O2/c1-42-28-15-17-32(42)34(30(19-28)23-5-9-25(38)10-6-23)36(44)40-21-22-3-13-27(14-4-22)41-37(45)35-31(24-7-11-26(39)12-8-24)20-29-16-18-33(35)43(29)2/h3-14,28-35H,15-21H2,1-2H3,(H,40,44)(H,41,45)/t28?,29?,30-,31-,32?,33?,34-,35+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50304053 (CHEMBL595677 | methyl 8-methyl-3-(4-(thiophen-3-yl...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:11:10:22:6.7,THB:2:4:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3/t16?,17-,18?,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50168070 (CHEMBL3798035) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#C Show InChI InChI=1S/C21H24N2/c1-4-17-10-11-19-13-12-18-8-5-6-9-20(18)23(21(19)16-17)15-7-14-22(2)3/h1,5-6,8-11,16H,7,12-15H2,2-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of human SERT I179C mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304050 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:35:34:42:30.31,16:6:1:3.4,THB:9:7:1:3.4,26:28:42:30.31| Show InChI InChI=1S/C35H41Cl2N5O4/c1-40-26-11-13-30(40)32(28(17-26)21-3-7-23(36)8-4-21)34(43)45-16-15-42-19-25(38-39-42)20-46-35(44)33-29(22-5-9-24(37)10-6-22)18-27-12-14-31(33)41(27)2/h3-10,19,26-33H,11-18,20H2,1-2H3/t26?,27?,28-,29-,30?,31?,32-,33+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222175 (2-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)cyclope...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1ccco1 |t:9| Show InChI InChI=1S/C17H15Cl2NO2/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(21)20-10-12-3-2-8-22-12/h2-3,6-9H,1,4-5,10H2,(H,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of wild-type human SERT expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5HT ...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50168069 (CHEMBL3797621) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCO Show InChI InChI=1S/C22H26N2O/c1-23(2)14-6-15-24-21-9-4-3-8-19(21)12-13-20-11-10-18(7-5-16-25)17-22(20)24/h3-4,8-11,17,25H,6,12-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of human SERT I179C mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50304045 (CHEMBL608703 | methyl 3-(4-chlorophenyl)-8-methyl-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12?,13-,14?,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222179 (CHEMBL248824 | m-tolyl 2-(3,4-dichlorophenyl)cyclo...) Show SMILES Cc1cccc(OC(=O)C2=C(CCC2)c2ccc(Cl)c(Cl)c2)c1 |t:9| Show InChI InChI=1S/C19H16Cl2O2/c1-12-4-2-5-14(10-12)23-19(22)16-7-3-6-15(16)13-8-9-17(20)18(21)11-13/h2,4-5,8-11H,3,6-7H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304054 (1-[3beta-(4-Thiophene-3-yl-phenyl)tropane-2beta-ca...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:40:39:51:35.36,20:6:1:3.4,THB:9:7:1:3.4,31:33:51:35.36| Show InChI InChI=1S/C47H52N4O2S2/c1-50-38-15-17-42(50)44(40(25-38)34-11-7-32(8-12-34)36-20-23-54-28-36)46(52)48-22-19-30-3-5-31(6-4-30)27-49-47(53)45-41(26-39-16-18-43(45)51(39)2)35-13-9-33(10-14-35)37-21-24-55-29-37/h3-14,20-21,23-24,28-29,38-45H,15-19,22,25-27H2,1-2H3,(H,48,52)(H,49,53)/t38?,39?,40-,41-,42?,43?,44-,45+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304051 (1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:36:35:43:31.32,16:6:1:3.4,THB:9:7:1:3.4,27:29:43:31.32| Show InChI InChI=1S/C39H46Cl2N4O2/c1-44-30-15-17-34(44)36(32(21-30)26-7-11-28(40)12-8-26)38(46)42-20-19-24-3-5-25(6-4-24)23-43-39(47)37-33(27-9-13-29(41)14-10-27)22-31-16-18-35(37)45(31)2/h3-14,30-37H,15-23H2,1-2H3,(H,42,46)(H,43,47)/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222191 (2-(3,4-dichlorophenyl)-N-(2-fluoroethyl)cyclopent-...) Show SMILES FCCNC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6| Show InChI InChI=1S/C14H14Cl2FNO/c15-12-5-4-9(8-13(12)16)10-2-1-3-11(10)14(19)18-7-6-17/h4-5,8H,1-3,6-7H2,(H,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304055 (1,4-Di[3-(4-thiophene-3-yl-phenyl)tropane-2-carbon...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:39:38:50:34.35,20:6:1:3.4,THB:9:7:1:3.4,30:32:50:34.35| Show InChI InChI=1S/C46H50N4O2S2/c1-49-37-15-17-41(49)43(39(23-37)33-11-7-31(8-12-33)35-19-21-53-27-35)45(51)47-25-29-3-5-30(6-4-29)26-48-46(52)44-40(24-38-16-18-42(44)50(38)2)34-13-9-32(10-14-34)36-20-22-54-28-36/h3-14,19-22,27-28,37-44H,15-18,23-26H2,1-2H3,(H,47,51)(H,48,52)/t37?,38?,39-,40-,41?,42?,43-,44+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50304051 (1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:36:35:43:31.32,16:6:1:3.4,THB:9:7:1:3.4,27:29:43:31.32| Show InChI InChI=1S/C39H46Cl2N4O2/c1-44-30-15-17-34(44)36(32(21-30)26-7-11-28(40)12-8-26)38(46)42-20-19-24-3-5-25(6-4-24)23-43-39(47)37-33(27-9-13-29(41)14-10-27)22-31-16-18-35(37)45(31)2/h3-14,30-37H,15-23H2,1-2H3,(H,42,46)(H,43,47)/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50304050 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:35:34:42:30.31,16:6:1:3.4,THB:9:7:1:3.4,26:28:42:30.31| Show InChI InChI=1S/C35H41Cl2N5O4/c1-40-26-11-13-30(40)32(28(17-26)21-3-7-23(36)8-4-21)34(43)45-16-15-42-19-25(38-39-42)20-46-35(44)33-29(22-5-9-24(37)10-6-22)18-27-12-14-31(33)41(27)2/h3-10,19,26-33H,11-18,20H2,1-2H3/t26?,27?,28-,29-,30?,31?,32-,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222184 (2-(3,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)cycl...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1cccs1 |t:9| Show InChI InChI=1S/C17H15Cl2NOS/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(21)20-10-12-3-2-8-22-12/h2-3,6-9H,1,4-5,10H2,(H,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50168069 (CHEMBL3797621) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCO Show InChI InChI=1S/C22H26N2O/c1-23(2)14-6-15-24-21-9-4-3-8-19(21)12-13-20-11-10-18(7-5-16-25)17-22(20)24/h3-4,8-11,17,25H,6,12-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of wild-type human SERT expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5HT ...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304054 (1-[3beta-(4-Thiophene-3-yl-phenyl)tropane-2beta-ca...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:40:39:51:35.36,20:6:1:3.4,THB:9:7:1:3.4,31:33:51:35.36| Show InChI InChI=1S/C47H52N4O2S2/c1-50-38-15-17-42(50)44(40(25-38)34-11-7-32(8-12-34)36-20-23-54-28-36)46(52)48-22-19-30-3-5-31(6-4-30)27-49-47(53)45-41(26-39-16-18-43(45)51(39)2)35-13-9-33(10-14-35)37-21-24-55-29-37/h3-14,20-21,23-24,28-29,38-45H,15-19,22,25-27H2,1-2H3,(H,48,52)(H,49,53)/t38?,39?,40-,41-,42?,43?,44-,45+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304055 (1,4-Di[3-(4-thiophene-3-yl-phenyl)tropane-2-carbon...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:39:38:50:34.35,20:6:1:3.4,THB:9:7:1:3.4,30:32:50:34.35| Show InChI InChI=1S/C46H50N4O2S2/c1-49-37-15-17-41(49)43(39(23-37)33-11-7-31(8-12-33)35-19-21-53-27-35)45(51)47-25-29-3-5-30(6-4-29)26-48-46(52)44-40(24-38-16-18-42(44)50(38)2)34-13-9-32(10-14-34)36-20-22-54-28-36/h3-14,19-22,27-28,37-44H,15-18,23-26H2,1-2H3,(H,47,51)(H,48,52)/t37?,38?,39-,40-,41?,42?,43-,44+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222188 (CHEMBL401071 | phenyl 2-(3,4-dichlorophenyl)cyclop...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)Oc1ccccc1 |t:9| Show InChI InChI=1S/C18H14Cl2O2/c19-16-10-9-12(11-17(16)20)14-7-4-8-15(14)18(21)22-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50304048 (1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,35:34:42:30.31,THB:9:7:1:3.4,26:28:42:30.31| Show InChI InChI=1S/C38H44Cl2N4O2/c1-43-29-15-17-33(43)35(31(21-29)24-5-9-26(39)10-6-24)37(45)41-20-19-23-3-13-28(14-4-23)42-38(46)36-32(25-7-11-27(40)12-8-25)22-30-16-18-34(36)44(30)2/h3-14,29-36H,15-22H2,1-2H3,(H,41,45)(H,42,46)/t29?,30?,31-,32-,33?,34?,35-,36+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304056 (1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCC1CCN(CC1)C(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:36:35:43:32.31,16:6:1:4.3,THB:9:7:1:4.3,27:29:43:32.31| Show InChI InChI=1S/C37H48Cl2N4O2/c1-41-28-11-13-32(41)34(30(21-28)24-3-7-26(38)8-4-24)36(44)40-18-15-23-16-19-43(20-17-23)37(45)35-31(25-5-9-27(39)10-6-25)22-29-12-14-33(35)42(29)2/h3-10,23,28-35H,11-22H2,1-2H3,(H,40,44)/t28?,29?,30-,31-,32?,33?,34+,35-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304057 (1,4-Di[3beta-(4-thiophene-3-yl-phenyl)tropane-2bet...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)Nc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:37:36:48:32.33,20:6:1:3.4,THB:9:7:1:3.4,28:30:48:32.33| Show InChI InChI=1S/C44H46N4O2S2/c1-47-35-15-17-39(47)41(37(23-35)29-7-3-27(4-8-29)31-19-21-51-25-31)43(49)45-33-11-13-34(14-12-33)46-44(50)42-38(24-36-16-18-40(42)48(36)2)30-9-5-28(6-10-30)32-20-22-52-26-32/h3-14,19-22,25-26,35-42H,15-18,23-24H2,1-2H3,(H,45,49)(H,46,50)/t35?,36?,37-,38-,39?,40?,41-,42+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222183 (CHEMBL403570 | o-tolyl 2-(3,4-dichlorophenyl)cyclo...) Show SMILES Cc1ccccc1OC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:11| Show InChI InChI=1S/C19H16Cl2O2/c1-12-5-2-3-8-18(12)23-19(22)15-7-4-6-14(15)13-9-10-16(20)17(21)11-13/h2-3,5,8-11H,4,6-7H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50168070 (CHEMBL3798035) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#C Show InChI InChI=1S/C21H24N2/c1-4-17-10-11-19-13-12-18-8-5-6-9-20(18)23(21(19)16-17)15-7-14-22(2)3/h1,5-6,8-11,16H,7,12-15H2,2-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of wild-type human SERT expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5HT ...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304058 (1,3-Di[3-(4-thiophene-3-yl-phenyl)tropane-2-carbon...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1cccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)c1 |r,TLB:20:6:1:3.4,40:39:51:35.36,THB:9:7:1:3.4,31:33:51:35.36| Show InChI InChI=1S/C46H50N4O2S2/c1-49-37-14-16-41(49)43(39(23-37)33-10-6-31(7-11-33)35-18-20-53-27-35)45(51)47-25-29-4-3-5-30(22-29)26-48-46(52)44-40(24-38-15-17-42(44)50(38)2)34-12-8-32(9-13-34)36-19-21-54-28-36/h3-13,18-22,27-28,37-44H,14-17,23-26H2,1-2H3,(H,47,51)(H,48,52)/t37?,38?,39-,40-,41?,42?,43-,44+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304059 (1,10-Di[3beta-(4-thiophene-3-yl-phenyl)tropane-2bc...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCCCCCCCCCNC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:43:42:54:38.39,20:6:1:3.4,THB:9:7:1:3.4,34:36:54:38.39| Show InChI InChI=1S/C48H62N4O2S2/c1-51-39-19-21-43(51)45(41(29-39)35-15-11-33(12-16-35)37-23-27-55-31-37)47(53)49-25-9-7-5-3-4-6-8-10-26-50-48(54)46-42(30-40-20-22-44(46)52(40)2)36-17-13-34(14-18-36)38-24-28-56-32-38/h11-18,23-24,27-28,31-32,39-46H,3-10,19-22,25-26,29-30H2,1-2H3,(H,49,53)(H,50,54)/t39?,40?,41-,42-,43?,44?,45-,46+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304057 (1,4-Di[3beta-(4-thiophene-3-yl-phenyl)tropane-2bet...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)Nc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:37:36:48:32.33,20:6:1:3.4,THB:9:7:1:3.4,28:30:48:32.33| Show InChI InChI=1S/C44H46N4O2S2/c1-47-35-15-17-39(47)41(37(23-35)29-7-3-27(4-8-29)31-19-21-51-25-31)43(49)45-33-11-13-34(14-12-33)46-44(50)42-38(24-36-16-18-40(42)48(36)2)30-9-5-28(6-10-30)32-20-22-52-26-32/h3-14,19-22,25-26,35-42H,15-18,23-24H2,1-2H3,(H,45,49)(H,46,50)/t35?,36?,37-,38-,39?,40?,41-,42+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50168064 (CHEMBL3799668) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCOc3cccc4ccccc34)cc12 Show InChI InChI=1S/C34H40N2O2/c1-35(2)21-9-22-36-32-15-6-4-12-29(32)19-20-30-18-17-27(26-33(30)36)10-8-23-37-24-25-38-34-16-7-13-28-11-3-5-14-31(28)34/h3-7,11-18,26H,8-10,19-25H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of human SERT I179C mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50168071 (CHEMBL3797849) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCc1cccc2ccccc12 Show InChI InChI=1S/C33H34N2O/c1-34(2)21-9-22-35-32-16-6-4-12-28(32)19-20-29-18-17-26(24-33(29)35)10-8-23-36-25-30-14-7-13-27-11-3-5-15-31(27)30/h3-7,11-18,24H,9,19-23,25H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of human SERT I179C mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50168063 (CHEMBL3799416) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCc3cccc4ccccc34)cc12 Show InChI InChI=1S/C33H38N2O/c1-34(2)21-9-22-35-32-16-6-4-12-28(32)19-20-29-18-17-26(24-33(29)35)10-8-23-36-25-30-14-7-13-27-11-3-5-15-31(27)30/h3-7,11-18,24H,8-10,19-23,25H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of human SERT I179C mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5...				Bioorg Med Chem 24: 2725-38 (2016) Article DOI: 10.1016/j.bmc.2016.04.039 BindingDB Entry DOI: 10.7270/Q2CF9S1W
					More data for this Ligand-Target Pair

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