Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50038121   

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))	BDBM50371827 (CHEMBL256227) Show SMILES CCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(OC)c1 Show InChI InChI=1S/C19H31NO2/c1-5-13-22-19(16-10-8-11-18(14-16)21-4)12-7-6-9-17(19)15-20(2)3/h8,10-11,14,17H,5-7,9,12-13,15H2,1-4H3/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371825 (CHEMBL404197) Show SMILES COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OCC1CC1 Show InChI InChI=1S/C20H31NO2/c1-21(2)14-18-7-4-5-12-20(18,23-15-16-10-11-16)17-8-6-9-19(13-17)22-3/h6,8-9,13,16,18H,4-5,7,10-12,14-15H2,1-3H3/t18-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r| Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371815 (CHEMBL402116) Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371815 (CHEMBL402116) Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371832 (CHEMBL270642) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,19-3)13-8-6-9-15(18)11-13/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371814 (CHEMBL407563) Show SMILES CNC[C@@H]1CCCC[C@@]1(OC)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371831 (CHEMBL270570) Show SMILES CCCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C19H31NO2/c1-4-5-13-22-19(16-10-8-11-18(21)14-16)12-7-6-9-17(19)15-20(2)3/h8,10-11,14,17,21H,4-7,9,12-13,15H2,1-3H3/t17-,19+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371826 (CHEMBL258140) Show SMILES CCCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(OC)c1 Show InChI InChI=1S/C20H33NO2/c1-5-6-14-23-20(17-11-9-12-19(15-17)22-4)13-8-7-10-18(20)16-21(2)3/h9,11-12,15,18H,5-8,10,13-14,16H2,1-4H3/t18-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371824 (CHEMBL272063) Show SMILES CCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C17H27NO2/c1-4-20-17(14-9-7-10-16(19)12-14)11-6-5-8-15(17)13-18(2)3/h7,9-10,12,15,19H,4-6,8,11,13H2,1-3H3/t15-,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371822 (CHEMBL255768) Show SMILES CN(C)C[C@H]1CCCC[C@]1(OCC1CC1)c1cccc(O)c1 Show InChI InChI=1S/C19H29NO2/c1-20(2)13-17-6-3-4-11-19(17,22-14-15-9-10-15)16-7-5-8-18(21)12-16/h5,7-8,12,15,17,21H,3-4,6,9-11,13-14H2,1-2H3/t17-,19+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371828 (CHEMBL272533) Show SMILES COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OC Show InChI InChI=1S/C17H27NO2/c1-18(2)13-15-8-5-6-11-17(15,20-4)14-9-7-10-16(12-14)19-3/h7,9-10,12,15H,5-6,8,11,13H2,1-4H3/t15-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371833 (CHEMBL403388) Show SMILES CCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(OC)c1 Show InChI InChI=1S/C18H29NO2/c1-5-21-18(15-10-8-11-17(13-15)20-4)12-7-6-9-16(18)14-19(2)3/h8,10-11,13,16H,5-7,9,12,14H2,1-4H3/t16-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371823 (CHEMBL270786) Show SMILES CCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C18H29NO2/c1-4-12-21-18(15-9-7-10-17(20)13-15)11-6-5-8-16(18)14-19(2)3/h7,9-10,13,16,20H,4-6,8,11-12,14H2,1-3H3/t16-,18+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371820 (CHEMBL257264) Show SMILES CN(C)C[C@H]1CCCC[C@]1(OCCO)c1cccc(O)c1 Show InChI InChI=1S/C17H27NO3/c1-18(2)13-15-6-3-4-9-17(15,21-11-10-19)14-7-5-8-16(20)12-14/h5,7-8,12,15,19-20H,3-4,6,9-11,13H2,1-2H3/t15-,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371832 (CHEMBL270642) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,19-3)13-8-6-9-15(18)11-13/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371818 (CHEMBL256163) Show SMILES CNC[C@@H]1CCCC[C@@]1(OC)c1cccc(OC)c1 Show InChI InChI=1S/C16H25NO2/c1-17-12-14-7-4-5-10-16(14,19-3)13-8-6-9-15(11-13)18-2/h6,8-9,11,14,17H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	898	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371828 (CHEMBL272533) Show SMILES COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OC Show InChI InChI=1S/C17H27NO2/c1-18(2)13-15-8-5-6-11-17(15,20-4)14-9-7-10-16(12-14)19-3/h7,9-10,12,15H,5-6,8,11,13H2,1-4H3/t15-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	927	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371833 (CHEMBL403388) Show SMILES CCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(OC)c1 Show InChI InChI=1S/C18H29NO2/c1-5-21-18(15-10-8-11-17(13-15)20-4)12-7-6-9-16(18)14-19(2)3/h8,10-11,13,16H,5-7,9,12,14H2,1-4H3/t16-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371814 (CHEMBL407563) Show SMILES CNC[C@@H]1CCCC[C@@]1(OC)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371824 (CHEMBL272063) Show SMILES CCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C17H27NO2/c1-4-20-17(14-9-7-10-16(19)12-14)11-6-5-8-15(17)13-18(2)3/h7,9-10,12,15,19H,4-6,8,11,13H2,1-3H3/t15-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371819 (CHEMBL256902) Show SMILES COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OCCCO Show InChI InChI=1S/C19H31NO3/c1-20(2)15-17-8-4-5-11-19(17,23-13-7-12-21)16-9-6-10-18(14-16)22-3/h6,9-10,14,17,21H,4-5,7-8,11-13,15H2,1-3H3/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371820 (CHEMBL257264) Show SMILES CN(C)C[C@H]1CCCC[C@]1(OCCO)c1cccc(O)c1 Show InChI InChI=1S/C17H27NO3/c1-18(2)13-15-6-3-4-9-17(15,21-11-10-19)14-7-5-8-16(20)12-14/h5,7-8,12,15,19-20H,3-4,6,9-11,13H2,1-2H3/t15-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371817 (CHEMBL258336) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1ccccc1 Show InChI InChI=1S/C16H25NO/c1-17(2)13-15-11-7-8-12-16(15,18-3)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371817 (CHEMBL258336) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1ccccc1 Show InChI InChI=1S/C16H25NO/c1-17(2)13-15-11-7-8-12-16(15,18-3)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371829 (CHEMBL258338) Show SMILES CO[C@]1(CCCC[C@H]1CN(C)C)c1ccccc1 Show InChI InChI=1S/C16H25NO/c1-17(2)13-15-11-7-8-12-16(15,18-3)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371815 (CHEMBL402116) Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371817 (CHEMBL258336) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1ccccc1 Show InChI InChI=1S/C16H25NO/c1-17(2)13-15-11-7-8-12-16(15,18-3)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-,16+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371817 (CHEMBL258336) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1ccccc1 Show InChI InChI=1S/C16H25NO/c1-17(2)13-15-11-7-8-12-16(15,18-3)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-,16+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371816 (CHEMBL256371) Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(OC)c1 Show InChI InChI=1S/C16H25NO2/c1-17-12-14-7-4-5-10-16(14,19-3)13-8-6-9-15(11-13)18-2/h6,8-9,11,14,17H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371831 (CHEMBL270570) Show SMILES CCCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C19H31NO2/c1-4-5-13-22-19(16-10-8-11-18(21)14-16)12-7-6-9-17(19)15-20(2)3/h8,10-11,14,17,21H,4-7,9,12-13,15H2,1-3H3/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371823 (CHEMBL270786) Show SMILES CCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C18H29NO2/c1-4-12-21-18(15-9-7-10-17(20)13-15)11-6-5-8-16(18)14-19(2)3/h7,9-10,13,16,20H,4-6,8,11-12,14H2,1-3H3/t16-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371817 (CHEMBL258336) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1ccccc1 Show InChI InChI=1S/C16H25NO/c1-17(2)13-15-11-7-8-12-16(15,18-3)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371817 (CHEMBL258336) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1ccccc1 Show InChI InChI=1S/C16H25NO/c1-17(2)13-15-11-7-8-12-16(15,18-3)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371816 (CHEMBL256371) Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(OC)c1 Show InChI InChI=1S/C16H25NO2/c1-17-12-14-7-4-5-10-16(14,19-3)13-8-6-9-15(11-13)18-2/h6,8-9,11,14,17H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371818 (CHEMBL256163) Show SMILES CNC[C@@H]1CCCC[C@@]1(OC)c1cccc(OC)c1 Show InChI InChI=1S/C16H25NO2/c1-17-12-14-7-4-5-10-16(14,19-3)13-8-6-9-15(11-13)18-2/h6,8-9,11,14,17H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371822 (CHEMBL255768) Show SMILES CN(C)C[C@H]1CCCC[C@]1(OCC1CC1)c1cccc(O)c1 Show InChI InChI=1S/C19H29NO2/c1-20(2)13-17-6-3-4-11-19(17,22-14-15-9-10-15)16-7-5-8-18(21)12-16/h5,7-8,12,15,17,21H,3-4,6,9-11,13-14H2,1-2H3/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371824 (CHEMBL272063) Show SMILES CCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C17H27NO2/c1-4-20-17(14-9-7-10-16(19)12-14)11-6-5-8-15(17)13-18(2)3/h7,9-10,12,15,19H,4-6,8,11,13H2,1-3H3/t15-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371825 (CHEMBL404197) Show SMILES COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OCC1CC1 Show InChI InChI=1S/C20H31NO2/c1-21(2)14-18-7-4-5-12-20(18,23-15-16-10-11-16)17-8-6-9-19(13-17)22-3/h6,8-9,13,16,18H,4-5,7,10-12,14-15H2,1-3H3/t18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371819 (CHEMBL256902) Show SMILES COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OCCCO Show InChI InChI=1S/C19H31NO3/c1-20(2)15-17-8-4-5-11-19(17,23-13-7-12-21)16-9-6-10-18(14-16)22-3/h6,9-10,14,17,21H,4-5,7-8,11-13,15H2,1-3H3/t17-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371827 (CHEMBL256227) Show SMILES CCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(OC)c1 Show InChI InChI=1S/C19H31NO2/c1-5-13-22-19(16-10-8-11-18(14-16)21-4)12-7-6-9-17(19)15-20(2)3/h8,10-11,14,17H,5-7,9,12-13,15H2,1-4H3/t17-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371816 (CHEMBL256371) Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(OC)c1 Show InChI InChI=1S/C16H25NO2/c1-17-12-14-7-4-5-10-16(14,19-3)13-8-6-9-15(11-13)18-2/h6,8-9,11,14,17H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371829 (CHEMBL258338) Show SMILES CO[C@]1(CCCC[C@H]1CN(C)C)c1ccccc1 Show InChI InChI=1S/C16H25NO/c1-17(2)13-15-11-7-8-12-16(15,18-3)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371821 (CHEMBL255196) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(c1)C#N Show InChI InChI=1S/C17H24N2O/c1-19(2)13-16-8-4-5-10-17(16,20-3)15-9-6-7-14(11-15)12-18/h6-7,9,11,16H,4-5,8,10,13H2,1-3H3/t16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371815 (CHEMBL402116) Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371815 (CHEMBL402116) Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371820 (CHEMBL257264) Show SMILES CN(C)C[C@H]1CCCC[C@]1(OCCO)c1cccc(O)c1 Show InChI InChI=1S/C17H27NO3/c1-18(2)13-15-6-3-4-9-17(15,21-11-10-19)14-7-5-8-16(20)12-14/h5,7-8,12,15,19-20H,3-4,6,9-11,13H2,1-2H3/t15-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371821 (CHEMBL255196) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(c1)C#N Show InChI InChI=1S/C17H24N2O/c1-19(2)13-16-8-4-5-10-17(16,20-3)15-9-6-7-14(11-15)12-18/h6-7,9,11,16H,4-5,8,10,13H2,1-3H3/t16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair

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