Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50049089   

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 (Rattus norvegicus (rat))	BDBM50234233 (CHEMBL3094164) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(N)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O/c1-28(2)15-3-14-25(21-7-9-22(26)10-8-21)24-13-6-19(16-20(24)17-29-25)18-4-11-23(27)12-5-18/h4-13,16H,3,14-15,17,27H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-(+/-)-citalopram from Sprague-Dawley rat brain SERT primary site (S1) after 2 hrs by liquid scintillation counting method				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234233 (CHEMBL3094164) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(N)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O/c1-28(2)15-3-14-25(21-7-9-22(26)10-8-21)24-13-6-19(16-20(24)17-29-25)18-4-11-23(27)12-5-18/h4-13,16H,3,14-15,17,27H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234236 (CHEMBL4072807) Show SMILES CN(C)CCCC(=O)c1ccc2c(COC2(CCCN(C)C)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H33FN2O2/c1-27(2)15-5-7-24(29)19-8-13-23-20(17-19)18-30-25(23,14-6-16-28(3)4)21-9-11-22(26)12-10-21/h8-13,17H,5-7,14-16,18H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302225 ((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1	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	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234228 (CHEMBL4093518) Show SMILES CN(C)CCCC1(OCc2c1ccc1ccccc21)c1ccc(F)cc1 Show InChI InChI=1S/C23H24FNO/c1-25(2)15-5-14-23(18-9-11-19(24)12-10-18)22-13-8-17-6-3-4-7-20(17)21(22)16-26-23/h3-4,6-13H,5,14-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM25870 (1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3	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	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234229 (CHEMBL4064213) Show SMILES CN(C)CCCC1(OCc2cc3ccccc3cc12)c1ccc(F)cc1 Show InChI InChI=1S/C23H24FNO/c1-25(2)13-5-12-23(20-8-10-21(24)11-9-20)22-15-18-7-4-3-6-17(18)14-19(22)16-26-23/h3-4,6-11,14-15H,5,12-13,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234234 (CHEMBL4070493) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H24N2O/c1-26(2)13-5-12-24(22-10-9-19-6-3-4-7-20(19)15-22)23-11-8-18(16-25)14-21(23)17-27-24/h3-4,6-11,14-15H,5,12-13,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302225 ((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1	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	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta sc...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234230 (CHEMBL4085773) Show SMILES CN(C)CCCC1(OCc2ccc3ccccc3c12)c1ccc(F)cc1 Show InChI InChI=1S/C23H24FNO/c1-25(2)15-5-14-23(19-10-12-20(24)13-11-19)22-18(16-26-23)9-8-17-6-3-4-7-21(17)22/h3-4,6-13H,5,14-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234235 (CHEMBL4062666) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)11-5-10-19(15-8-9-17(20)18(21)12-15)16-7-4-3-6-14(16)13-23-19/h3-4,6-9,12H,5,10-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234234 (CHEMBL4070493) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H24N2O/c1-26(2)13-5-12-24(22-10-9-19-6-3-4-7-20(19)15-22)23-11-8-18(16-25)14-21(23)17-27-24/h3-4,6-11,14-15H,5,12-13,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234234 (CHEMBL4070493) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H24N2O/c1-26(2)13-5-12-24(22-10-9-19-6-3-4-7-20(19)15-22)23-11-8-18(16-25)14-21(23)17-27-24/h3-4,6-11,14-15H,5,12-13,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234225 (CHEMBL4083258) Show SMILES CCCCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H29FN2O/c1-3-4-5-14-27(2)15-6-13-24(21-8-10-22(25)11-9-21)23-12-7-19(17-26)16-20(23)18-28-24/h7-12,16H,3-6,13-15,18H2,1-2H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta sc...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234232 (CHEMBL4097442) Show SMILES CCCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H27FN2O/c1-3-4-13-26(2)14-5-12-23(20-7-9-21(24)10-8-20)22-11-6-18(16-25)15-19(22)17-27-23/h6-11,15H,3-5,12-14,17H2,1-2H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta sc...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234222 (CHEMBL4100796) Show SMILES CCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25FN2O/c1-3-12-25(2)13-4-11-22(19-6-8-20(23)9-7-19)21-10-5-17(15-24)14-18(21)16-26-22/h5-10,14H,3-4,11-13,16H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta sc...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234226 (CHEMBL4061866) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1cccc2ccccc12 Show InChI InChI=1S/C24H24N2O/c1-26(2)14-6-13-24(22-12-11-18(16-25)15-20(22)17-27-24)23-10-5-8-19-7-3-4-9-21(19)23/h3-5,7-12,15H,6,13-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234226 (CHEMBL4061866) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1cccc2ccccc12 Show InChI InChI=1S/C24H24N2O/c1-26(2)14-6-13-24(22-12-11-18(16-25)15-20(22)17-27-24)23-10-5-8-19-7-3-4-9-21(19)23/h3-5,7-12,15H,6,13-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234231 (CHEMBL4093087) Show SMILES CCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H23FN2O/c1-3-24(2)12-4-11-21(18-6-8-19(22)9-7-18)20-10-5-16(14-23)13-17(20)15-25-21/h5-10,13H,3-4,11-12,15H2,1-2H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta sc...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234226 (CHEMBL4061866) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1cccc2ccccc12 Show InChI InChI=1S/C24H24N2O/c1-26(2)14-6-13-24(22-12-11-18(16-25)15-20(22)17-27-24)23-10-5-8-19-7-3-4-9-21(19)23/h3-5,7-12,15H,6,13-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234224 (CHEMBL4070256) Show SMILES CCCCN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H27FN2O/c1-3-4-13-26(2)14-5-12-23(20-7-9-21(24)10-8-20)22-11-6-18(16-25)15-19(22)17-27-23/h6-11,15H,3-5,12-14,17H2,1-2H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta sc...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234221 (CHEMBL4065415) Show SMILES CCN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H23FN2O/c1-3-24(2)12-4-11-21(18-6-8-19(22)9-7-18)20-10-5-16(14-23)13-17(20)15-25-21/h5-10,13H,3-4,11-12,15H2,1-2H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta sc...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234223 (CHEMBL4074032) Show SMILES CCCN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25FN2O/c1-3-12-25(2)13-4-11-22(19-6-8-20(23)9-7-19)21-10-5-17(15-24)14-18(21)16-26-22/h5-10,14H,3-4,11-13,16H2,1-2H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta sc...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234231 (CHEMBL4093087) Show SMILES CCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H23FN2O/c1-3-24(2)12-4-11-21(18-6-8-19(22)9-7-18)20-10-5-16(14-23)13-17(20)15-25-21/h5-10,13H,3-4,11-12,15H2,1-2H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234230 (CHEMBL4085773) Show SMILES CN(C)CCCC1(OCc2ccc3ccccc3c12)c1ccc(F)cc1 Show InChI InChI=1S/C23H24FNO/c1-25(2)15-5-14-23(19-10-12-20(24)13-11-19)22-18(16-26-23)9-8-17-6-3-4-7-21(17)22/h3-4,6-13H,5,14-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234229 (CHEMBL4064213) Show SMILES CN(C)CCCC1(OCc2cc3ccccc3cc12)c1ccc(F)cc1 Show InChI InChI=1S/C23H24FNO/c1-25(2)13-5-12-23(20-8-10-21(24)11-9-20)22-15-18-7-4-3-6-17(18)14-19(22)16-26-23/h3-4,6-11,14-15H,5,12-13,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234228 (CHEMBL4093518) Show SMILES CN(C)CCCC1(OCc2c1ccc1ccccc21)c1ccc(F)cc1 Show InChI InChI=1S/C23H24FNO/c1-25(2)15-5-14-23(18-9-11-19(24)12-10-18)22-13-8-17-6-3-4-7-20(17)21(22)16-26-23/h3-4,6-13H,5,14-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234226 (CHEMBL4061866) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1cccc2ccccc12 Show InChI InChI=1S/C24H24N2O/c1-26(2)14-6-13-24(22-12-11-18(16-25)15-20(22)17-27-24)23-10-5-8-19-7-3-4-9-21(19)23/h3-5,7-12,15H,6,13-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234226 (CHEMBL4061866) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1cccc2ccccc12 Show InChI InChI=1S/C24H24N2O/c1-26(2)14-6-13-24(22-12-11-18(16-25)15-20(22)17-27-24)23-10-5-8-19-7-3-4-9-21(19)23/h3-5,7-12,15H,6,13-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234226 (CHEMBL4061866) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1cccc2ccccc12 Show InChI InChI=1S/C24H24N2O/c1-26(2)14-6-13-24(22-12-11-18(16-25)15-20(22)17-27-24)23-10-5-8-19-7-3-4-9-21(19)23/h3-5,7-12,15H,6,13-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234225 (CHEMBL4083258) Show SMILES CCCCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H29FN2O/c1-3-4-5-14-27(2)15-6-13-24(21-8-10-22(25)11-9-21)23-12-7-19(17-26)16-20(23)18-28-24/h7-12,16H,3-6,13-15,18H2,1-2H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234222 (CHEMBL4100796) Show SMILES CCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25FN2O/c1-3-12-25(2)13-4-11-22(19-6-8-20(23)9-7-19)21-10-5-17(15-24)14-18(21)16-26-22/h5-10,14H,3-4,11-13,16H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302225 ((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1	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	n/a	n/a	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234236 (CHEMBL4072807) Show SMILES CN(C)CCCC(=O)c1ccc2c(COC2(CCCN(C)C)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H33FN2O2/c1-27(2)15-5-7-24(29)19-8-13-23-20(17-19)18-30-25(23,14-6-16-28(3)4)21-9-11-22(26)12-10-21/h8-13,17H,5-7,14-16,18H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.14E+5	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234235 (CHEMBL4062666) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)11-5-10-19(15-8-9-17(20)18(21)12-15)16-7-4-3-6-14(16)13-23-19/h3-4,6-9,12H,5,10-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234234 (CHEMBL4070493) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H24N2O/c1-26(2)13-5-12-24(22-10-9-19-6-3-4-7-20(19)15-22)23-11-8-18(16-25)14-21(23)17-27-24/h3-4,6-11,14-15H,5,12-13,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234234 (CHEMBL4070493) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H24N2O/c1-26(2)13-5-12-24(22-10-9-19-6-3-4-7-20(19)15-22)23-11-8-18(16-25)14-21(23)17-27-24/h3-4,6-11,14-15H,5,12-13,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234234 (CHEMBL4070493) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H24N2O/c1-26(2)13-5-12-24(22-10-9-19-6-3-4-7-20(19)15-22)23-11-8-18(16-25)14-21(23)17-27-24/h3-4,6-11,14-15H,5,12-13,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM25870 (1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3	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	n/a	n/a	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302225 ((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1	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	n/a	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234224 (CHEMBL4070256) Show SMILES CCCCN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H27FN2O/c1-3-4-13-26(2)14-5-12-23(20-7-9-21(24)10-8-20)22-11-6-18(16-25)15-19(22)17-27-23/h6-11,15H,3-5,12-14,17H2,1-2H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234221 (CHEMBL4065415) Show SMILES CCN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H23FN2O/c1-3-24(2)12-4-11-21(18-6-8-19(22)9-7-18)20-10-5-16(14-23)13-17(20)15-25-21/h5-10,13H,3-4,11-12,15H2,1-2H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair

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