Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50036858   

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 dopamine transporter (Homo sapiens (Human))	BDBM50084332 ((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piper...) Show SMILES C(CN1CCCC(CNCCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-21-32-22-11-15-27(25-32)24-31-20-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084332 ((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piper...) Show SMILES C(CN1CCCC(CNCCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-21-32-22-11-15-27(25-32)24-31-20-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084333 ((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piper...) Show SMILES CN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C30H38N2O/c1-31(29-19-22-32(23-20-29)21-11-14-26-12-5-2-6-13-26)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084333 ((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piper...) Show SMILES CN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C30H38N2O/c1-31(29-19-22-32(23-20-29)21-11-14-26-12-5-2-6-13-26)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084337 (CHEMBL67078 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES C(CNCC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-20-31-24-27-15-11-21-32(25-27)22-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084339 (CHEMBL443797 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C30H38N2O/c1-31(21-11-14-26-12-5-2-6-13-26)29-19-22-32(23-20-29)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084334 (CHEMBL421867 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES C(CNC1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H36N2O/c1-4-11-25(12-5-1)13-10-20-30-28-18-21-31(22-19-28)23-24-32-29(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28-30H,10,13,18-24H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084337 (CHEMBL67078 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES C(CNCC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-20-31-24-27-15-11-21-32(25-27)22-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084335 (CHEMBL67024 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES Fc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H33FN2O/c29-26-13-11-23(12-14-26)15-18-30-27-16-19-31(20-17-27)21-22-32-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,27-28,30H,15-22H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084341 ((2-Benzhydryloxy-ethyl)-(1-benzyl-piperidin-4-yl)-...) Show SMILES C(COC(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H32N2O/c1-4-10-23(11-5-1)22-29-19-16-26(17-20-29)28-18-21-30-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084340 (CHEMBL417035 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-18-31-22-25-8-7-19-32(23-25)20-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084339 (CHEMBL443797 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C30H38N2O/c1-31(21-11-14-26-12-5-2-6-13-26)29-19-22-32(23-20-29)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084336 (CHEMBL69380 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C30H37FN2O/c1-32(20-18-25-14-16-29(31)17-15-25)23-26-9-8-19-33(24-26)21-22-34-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-17,26,30H,8-9,18-24H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084338 ((2-Benzhydryloxy-ethyl)-{1-[2-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(CCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-20-32-19-7-8-25(23-32)22-31-18-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084336 (CHEMBL69380 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C30H37FN2O/c1-32(20-18-25-14-16-29(31)17-15-25)23-26-9-8-19-33(24-26)21-22-34-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-17,26,30H,8-9,18-24H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084335 (CHEMBL67024 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES Fc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H33FN2O/c29-26-13-11-23(12-14-26)15-18-30-27-16-19-31(20-17-27)21-22-32-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,27-28,30H,15-22H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084334 (CHEMBL421867 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES C(CNC1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H36N2O/c1-4-11-25(12-5-1)13-10-20-30-28-18-21-31(22-19-28)23-24-32-29(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28-30H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084338 ((2-Benzhydryloxy-ethyl)-{1-[2-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(CCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-20-32-19-7-8-25(23-32)22-31-18-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084334 (CHEMBL421867 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES C(CNC1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H36N2O/c1-4-11-25(12-5-1)13-10-20-30-28-18-21-31(22-19-28)23-24-32-29(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28-30H,10,13,18-24H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084341 ((2-Benzhydryloxy-ethyl)-(1-benzyl-piperidin-4-yl)-...) Show SMILES C(COC(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H32N2O/c1-4-10-23(11-5-1)22-29-19-16-26(17-20-29)28-18-21-30-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084340 (CHEMBL417035 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-18-31-22-25-8-7-19-32(23-25)20-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084332 ((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piper...) Show SMILES C(CN1CCCC(CNCCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-21-32-22-11-15-27(25-32)24-31-20-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084335 (CHEMBL67024 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES Fc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H33FN2O/c29-26-13-11-23(12-14-26)15-18-30-27-16-19-31(20-17-27)21-22-32-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,27-28,30H,15-22H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084337 (CHEMBL67078 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES C(CNCC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-20-31-24-27-15-11-21-32(25-27)22-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084339 (CHEMBL443797 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C30H38N2O/c1-31(21-11-14-26-12-5-2-6-13-26)29-19-22-32(23-20-29)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084338 ((2-Benzhydryloxy-ethyl)-{1-[2-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(CCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-20-32-19-7-8-25(23-32)22-31-18-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084336 (CHEMBL69380 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C30H37FN2O/c1-32(20-18-25-14-16-29(31)17-15-25)23-26-9-8-19-33(24-26)21-22-34-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-17,26,30H,8-9,18-24H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084340 (CHEMBL417035 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-18-31-22-25-8-7-19-32(23-25)20-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084333 ((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piper...) Show SMILES CN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C30H38N2O/c1-31(29-19-22-32(23-20-29)21-11-14-26-12-5-2-6-13-26)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084341 ((2-Benzhydryloxy-ethyl)-(1-benzyl-piperidin-4-yl)-...) Show SMILES C(COC(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H32N2O/c1-4-10-23(11-5-1)22-29-19-16-26(17-20-29)28-18-21-30-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake in HEK293 cells expressing human dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084337 (CHEMBL67078 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES C(CNCC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-20-31-24-27-15-11-21-32(25-27)22-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084341 ((2-Benzhydryloxy-ethyl)-(1-benzyl-piperidin-4-yl)-...) Show SMILES C(COC(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H32N2O/c1-4-10-23(11-5-1)22-29-19-16-26(17-20-29)28-18-21-30-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084332 ((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piper...) Show SMILES C(CN1CCCC(CNCCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-21-32-22-11-15-27(25-32)24-31-20-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084337 (CHEMBL67078 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES C(CNCC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-20-31-24-27-15-11-21-32(25-27)22-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake in HEK293 cells expressing human dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084332 ((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piper...) Show SMILES C(CN1CCCC(CNCCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-21-32-22-11-15-27(25-32)24-31-20-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake in HEK293 cells expressing human dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084335 (CHEMBL67024 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES Fc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H33FN2O/c29-26-13-11-23(12-14-26)15-18-30-27-16-19-31(20-17-27)21-22-32-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,27-28,30H,15-22H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084339 (CHEMBL443797 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C30H38N2O/c1-31(21-11-14-26-12-5-2-6-13-26)29-19-22-32(23-20-29)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake in HEK293 cells expressing human dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084340 (CHEMBL417035 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-18-31-22-25-8-7-19-32(23-25)20-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084338 ((2-Benzhydryloxy-ethyl)-{1-[2-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(CCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-20-32-19-7-8-25(23-32)22-31-18-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084333 ((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piper...) Show SMILES CN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C30H38N2O/c1-31(29-19-22-32(23-20-29)21-11-14-26-12-5-2-6-13-26)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084339 (CHEMBL443797 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C30H38N2O/c1-31(21-11-14-26-12-5-2-6-13-26)29-19-22-32(23-20-29)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake in HEK293 cells expressing human dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair

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