Compile Data Set for Download or QSAR

Found 73 hits of ec50 data for polymerid = 2274   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM50022723 ((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...) Show SMILES C[C@H](N)Cc1ccccc1 |r| Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	7.10	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine reuptake at human NET cloned in rat brain synaptosome by scintillation counting				Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50309519 (2-(2-chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyr...) Show SMILES Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1 Show InChI InChI=1S/C16H16ClFN2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2	Reactome pathway 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	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at NET				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50299788 (4-(2-(3-fluorophenoxy)phenyl)piperidine | CHEMBL58...) Show SMILES Fc1cccc(Oc2ccccc2C2CCNCC2)c1 Show InChI InChI=1S/C17H18FNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50235120 (CHEMBL4087670) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H34F2N6O2/c29-25(30)17-36-19-31-26(33-36)18-34-12-14-35(15-13-34)28(38)22-8-6-20(7-9-22)16-23-10-11-24(32-23)27(37)21-4-2-1-3-5-21/h1-9,19,23-25,27,32,37H,10-18H2/t23-,24+,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin) expressed in HEK293 cells assessed as reduction in norepinephrine reuptake				Bioorg Med Chem Lett 27: 1094-1098 (2017) Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50299783 (4-(2-fluoro-6-(3-fluorophenoxy)phenyl)piperidine |...) Show SMILES Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1 Show InChI InChI=1S/C17H17F2NO/c18-13-3-1-4-14(11-13)21-16-6-2-5-15(19)17(16)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50333433 (3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy)az...) Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CNC1 Show InChI InChI=1S/C15H12ClF2NO2/c16-10-3-1-4-11(17)14(10)21-13-6-2-5-12(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned NET expressed in HEK293 cells by FLIPR assay				Bioorg Med Chem Lett 21: 865-8 (2011) Article DOI: 10.1016/j.bmcl.2010.11.066 BindingDB Entry DOI: 10.7270/Q2HT2PK6
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50309505 (4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...) Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1 Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at NET				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50309505 (4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...) Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1 Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned NET expressed in HEK293 cells by FLIPR assay				Bioorg Med Chem Lett 21: 865-8 (2011) Article DOI: 10.1016/j.bmcl.2010.11.066 BindingDB Entry DOI: 10.7270/Q2HT2PK6
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50299798 (4-(2-(3-chlorophenoxy)phenyl)piperidine | CHEMBL57...) Show SMILES Clc1cccc(Oc2ccccc2C2CCNCC2)c1 Show InChI InChI=1S/C17H18ClNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50235121 (CHEMBL4066314) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H33F3N6O2/c29-28(30,31)18-37-19-32-25(34-37)17-35-12-14-36(15-13-35)27(39)22-8-6-20(7-9-22)16-23-10-11-24(33-23)26(38)21-4-2-1-3-5-21/h1-9,19,23-24,26,33,38H,10-18H2/t23-,24+,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition constant against Alpha-Fucosidase; Uncompetitive inhibition				Bioorg Med Chem Lett 27: 1094-1098 (2017) Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50299797 (1-(2-(benzyloxy)phenyl)piperazine | CHEMBL582928) Show SMILES C(Oc1ccccc1N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C17H20N2O/c1-2-6-15(7-3-1)14-20-17-9-5-4-8-16(17)19-12-10-18-11-13-19/h1-9,18H,10-14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50333448 (3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy)py...) Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNC1 Show InChI InChI=1S/C16H14ClF2NO2/c17-11-3-1-4-12(18)15(11)22-14-6-2-5-13(19)16(14)21-10-7-8-20-9-10/h1-6,10,20H,7-9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	97	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned NET expressed in HEK293 cells by FLIPR assay				Bioorg Med Chem Lett 21: 865-8 (2011) Article DOI: 10.1016/j.bmcl.2010.11.066 BindingDB Entry DOI: 10.7270/Q2HT2PK6
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50333434 (3-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)az...) Show SMILES Cc1cccc(F)c1Oc1cccc(F)c1OC1CNC1 Show InChI InChI=1S/C16H15F2NO2/c1-10-4-2-5-12(17)15(10)21-14-7-3-6-13(18)16(14)20-11-8-19-9-11/h2-7,11,19H,8-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	239	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned NET expressed in HEK293 cells by FLIPR assay				Bioorg Med Chem Lett 21: 865-8 (2011) Article DOI: 10.1016/j.bmcl.2010.11.066 BindingDB Entry DOI: 10.7270/Q2HT2PK6
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50235077 (CHEMBL4074920) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3cccc(n3)-c3nc(C)no3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C32H36N6O3/c1-22-33-31(41-36-22)29-9-5-8-27(35-29)21-37-16-18-38(19-17-37)32(40)25-12-10-23(11-13-25)20-26-14-15-28(34-26)30(39)24-6-3-2-4-7-24/h2-13,26,28,30,34,39H,14-21H2,1H3/t26-,28+,30+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin) expressed in HEK293 cells assessed as reduction in norepinephrine reuptake				Bioorg Med Chem Lett 27: 1094-1098 (2017) Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50235075 (CHEMBL4095361) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3cccc(n3)-c3nnc(C)o3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C32H36N6O3/c1-22-35-36-31(41-22)29-9-5-8-27(34-29)21-37-16-18-38(19-17-37)32(40)25-12-10-23(11-13-25)20-26-14-15-28(33-26)30(39)24-6-3-2-4-7-24/h2-13,26,28,30,33,39H,14-21H2,1H3/t26-,28+,30+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	254	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin) expressed in HEK293 cells assessed as reduction in norepinephrine reuptake				Bioorg Med Chem Lett 27: 1094-1098 (2017) Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50236804 (CHEMBL4066973) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OC |r| Show InChI InChI=1S/C20H18ClN5O4S/c1-22-17-13-18(25-12(24-17)6-4-9-3-5-11(21)31-9)26(8-23-13)14-10-7-20(10,19(29)30-2)16(28)15(14)27/h3,5,8,10,14-16,27-28H,7H2,1-2H3,(H,22,24,25)/t10-,14-,15+,16+,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Enhancing of [125I]RTI-55 binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand additi...				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50235076 (CHEMBL4073137) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ccccn3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C29H34N4O2/c34-28(23-6-2-1-3-7-23)27-14-13-25(31-27)20-22-9-11-24(12-10-22)29(35)33-18-16-32(17-19-33)21-26-8-4-5-15-30-26/h1-12,15,25,27-28,31,34H,13-14,16-21H2/t25-,27+,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	339	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin) expressed in HEK293 cells assessed as reduction in norepinephrine reuptake				Bioorg Med Chem Lett 27: 1094-1098 (2017) Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50299792 (4-(3-fluoro-2-phenoxyphenyl)piperidine | CHEMBL583...) Show SMILES Fc1cccc(C2CCNCC2)c1Oc1ccccc1 Show InChI InChI=1S/C17H18FNO/c18-16-8-4-7-15(13-9-11-19-12-10-13)17(16)20-14-5-2-1-3-6-14/h1-8,13,19H,9-12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	358	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	830	n/a	n/a	n/a	385	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50236762 (CHEMBL4071830) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1)C(=O)OC |r| Show InChI InChI=1S/C20H18BrN5O4S/c1-22-17-13-18(25-12(24-17)6-4-9-3-5-11(21)31-9)26(8-23-13)14-10-7-20(10,19(29)30-2)16(28)15(14)27/h3,5,8,10,14-16,27-28H,7H2,1-2H3,(H,22,24,25)/t10-,14-,15+,16+,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM30131 (tetrahydrofuranyl ethylamine, 14) Show SMILES COc1ccc(F)cc1CCC1CCC(CCN)O1 Show InChI InChI=1S/C15H22FNO2/c1-18-15-7-3-12(16)10-11(15)2-4-13-5-6-14(19-13)8-9-17/h3,7,10,13-14H,2,4-6,8-9,17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.44E+3	n/a	n/a	n/a	481	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute					Assay Description Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...				J Med Chem 52: 1530-9 (2009) Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50236796 (CHEMBL4093756) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCC |r| Show InChI InChI=1S/C21H20ClN5O4S/c1-3-31-20(30)21-8-11(21)15(16(28)17(21)29)27-9-24-14-18(23-2)25-13(26-19(14)27)7-5-10-4-6-12(22)32-10/h4,6,9,11,15-17,28-29H,3,8H2,1-2H3,(H,23,25,26)/t11-,15-,16+,17+,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Enhancing of [125I]RTI-55 binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand additi...				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22403 (2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...) Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6| Show InChI InChI=1S/C23H22ClN3O2S/c1-26-18-10-11-20(26)22(19(12-18)14-2-6-16(24)7-3-14)23-25-13-21(30-23)15-4-8-17(9-5-15)27(28)29/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.27E+3	n/a	n/a	n/a	582	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22405 (2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...) Show SMILES COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:28:27:15.16:19.18.13| Show InChI InChI=1S/C24H25ClN2OS/c1-27-18-9-12-21(27)23(20(13-18)15-3-7-17(25)8-4-15)24-26-14-22(29-24)16-5-10-19(28-2)11-6-16/h3-8,10-11,14,18,20-21,23H,9,12-13H2,1-2H3/t18-,20+,21+,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.27E+3	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50235119 (CHEMBL4085173) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C27H32F3N7O2/c28-27(29,30)18-37-33-24(32-34-37)17-35-12-14-36(15-13-35)26(39)21-8-6-19(7-9-21)16-22-10-11-23(31-22)25(38)20-4-2-1-3-5-20/h1-9,22-23,25,31,38H,10-18H2/t22-,23+,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	627	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin) expressed in HEK293 cells assessed as reduction in norepinephrine reuptake				Bioorg Med Chem Lett 27: 1094-1098 (2017) Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22404 (2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...) Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6| Show InChI InChI=1S/C23H22ClN3O2S/c1-26-17-9-10-20(26)22(19(12-17)14-5-7-16(24)8-6-14)23-25-13-21(30-23)15-3-2-4-18(11-15)27(28)29/h2-8,11,13,17,19-20,22H,9-10,12H2,1H3/t17-,19+,20+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	650	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50069813 (CHEMBL3407785) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1)C(=O)NC |r| Show InChI InChI=1S/C20H19BrN6O3S/c1-22-17-13-18(26-12(25-17)6-4-9-3-5-11(21)31-9)27(8-24-13)14-10-7-20(10,19(30)23-2)16(29)15(14)28/h3,5,8,10,14-16,28-29H,7H2,1-2H3,(H,23,30)(H,22,25,26)/t10-,14-,15+,16+,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Enhancing of [125I]RTI-55 binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand additi...				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22399 (2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...) Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(F)cc1 |TLB:0:1:4.3:7.8.6| Show InChI InChI=1S/C23H22ClFN2S/c1-27-18-10-11-20(27)22(19(12-18)14-2-6-16(24)7-3-14)23-26-13-21(28-23)15-4-8-17(25)9-5-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50237600 (CHEMBL4071867) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(cc12)C#Cc1ccc(Cl)s1)C(=O)NC |r| Show InChI InChI=1S/C21H20ClN5O3S/c1-23-19-15-13(7-10(26-19)3-4-11-5-6-14(22)31-11)27(9-25-15)16-12-8-21(12,20(30)24-2)18(29)17(16)28/h5-7,9,12,16-18,28-29H,8H2,1-2H3,(H,23,26)(H,24,30)/t12-,16-,17+,18+,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Enhancing of [125I]RTI-55 binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand additi...				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22398 (2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...) Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1 |TLB:0:1:4.3:7.8.6| Show InChI InChI=1S/C23H23ClN2S/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18-,19+,20+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.84E+3	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50235079 (CHEMBL4103112) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C27H33F2N7O2/c28-24(29)17-36-32-25(31-33-36)18-34-12-14-35(15-13-34)27(38)21-8-6-19(7-9-21)16-22-10-11-23(30-22)26(37)20-4-2-1-3-5-20/h1-9,22-24,26,30,37H,10-18H2/t22-,23+,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	827	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of the EPSP synthase PEP-Pi site by the compound expressed as apparent value				Bioorg Med Chem Lett 27: 1094-1098 (2017) Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.12E+3	n/a	n/a	n/a	835	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute					Assay Description Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...				J Med Chem 52: 1530-9 (2009) Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50116882 (CHEMBL3612932) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r| Show InChI InChI=1S/C22H23ClN6O3S/c1-3-8-25-19-15-20(28-14(27-19)7-5-11-4-6-13(23)33-11)29(10-26-15)16-12-9-22(12,21(32)24-2)18(31)17(16)30/h4,6,10,12,16-18,30-31H,3,8-9H2,1-2H3,(H,24,32)(H,25,27,28)/t12-,16-,17+,18+,22+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Enhancing of [125I]RTI-55 binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand additi...				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22400 (5-(4-chlorophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophe...) Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)cc1 |TLB:0:1:4.3:7.8.6| Show InChI InChI=1S/C23H22Cl2N2S/c1-27-18-10-11-20(27)22(19(12-18)14-2-6-16(24)7-3-14)23-26-13-21(28-23)15-4-8-17(25)9-5-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	912	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM30128 (phthalazinone, 21) Show SMILES COc1ccc(F)c(CCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1 |c:23,27| Show InChI InChI=1S/C36H48FN3O5/c1-42-29-16-17-32(37)25(23-29)11-13-27-14-15-28(45-27)19-21-38-20-7-4-8-22-40-36(41)31-10-6-5-9-30(31)35(39-40)26-12-18-33(43-2)34(24-26)44-3/h5-6,12,16-18,23-24,27-28,30-31,38H,4,7-11,13-15,19-22H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	957	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute					Assay Description Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...				J Med Chem 52: 1530-9 (2009) Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22401 (5-(4-bromophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophen...) Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Br)cc1 |TLB:0:1:4.3:7.8.6| Show InChI InChI=1S/C23H22BrClN2S/c1-27-18-10-11-20(27)22(19(12-18)14-4-8-17(25)9-5-14)23-26-13-21(28-23)15-2-6-16(24)7-3-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.29E+3	n/a	n/a	n/a	960	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50236774 (CHEMBL4105127) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCC |r| Show InChI InChI=1S/C22H22ClN5O4S/c1-3-8-32-21(31)22-9-12(22)16(17(29)18(22)30)28-10-25-15-19(24-2)26-14(27-20(15)28)7-5-11-4-6-13(23)33-11/h4,6,10,12,16-18,29-30H,3,8-9H2,1-2H3,(H,24,26,27)/t12-,16-,17+,18+,22+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	980	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50010588 ((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...) Show SMILES CNC(C)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human NET expressed in HEK293 cells assessed as induction of [3H]MPP+ release by liquid scintillation counting method				Bioorg Med Chem 23: 5574-9 (2015) Article DOI: 10.1016/j.bmc.2015.07.035 BindingDB Entry DOI: 10.7270/Q2TH8PGT
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.56E+3	n/a	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute					Assay Description Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...				J Med Chem 52: 1530-9 (2009) Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22409 (5-(4-chlorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-...) Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)cc1 |TLB:0:1:4.3:7.8.6| Show InChI InChI=1S/C24H25ClN2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(27(19)2)23(20)24-26-14-22(28-24)17-7-9-18(25)10-8-17/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.87E+3	n/a	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50069812 (CHEMBL3407784) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r| Show InChI InChI=1S/C20H19ClN6O3S/c1-22-17-13-18(26-12(25-17)6-4-9-3-5-11(21)31-9)27(8-24-13)14-10-7-20(10,19(30)23-2)16(29)15(14)28/h3,5,8,10,14-16,28-29H,7H2,1-2H3,(H,23,30)(H,22,25,26)/t10-,14-,15+,16+,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Enhancing of [125I]RTI-55 binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand additi...				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50475952 (CHEMBL2371930) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@]3([H])CSSC[C@]([H])(NC2=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N3)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1 Show InChI InChI=1S/C62H91N19O18S4/c1-29(2)14-37-55(92)77-43-26-102-100-24-41(53(90)68-21-48(86)71-38(15-32-9-11-34(82)12-10-32)56(93)73-36(54(91)74-37)8-6-7-13-63)76-59(96)44-27-103-101-25-42(78-60(97)45-17-35(83)23-81(45)62(99)40(75-58(43)95)16-33-19-65-28-69-33)57(94)70-31(5)51(88)66-20-47(85)72-39(18-46(64)84)52(89)67-22-49(87)80-50(30(3)4)61(98)79-44/h9-12,19,28-31,35-45,50,82-83H,6-8,13-18,20-27,63H2,1-5H3,(H2,64,84)(H,65,69)(H,66,88)(H,67,89)(H,68,90)(H,70,94)(H,71,86)(H,72,85)(H,73,93)(H,74,91)(H,75,95)(H,76,96)(H,77,92)(H,78,97)(H,79,98)(H,80,87)/t31-,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,50-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET in COS7 cells				J Med Chem 49: 6561-8 (2006) Article DOI: 10.1021/jm060299h BindingDB Entry DOI: 10.7270/Q21R6T89
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50235078 (CHEMBL4092912) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC4CC4)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C29H37N7O2/c37-28(23-4-2-1-3-5-23)26-13-12-25(30-26)18-21-8-10-24(11-9-21)29(38)35-16-14-34(15-17-35)20-27-31-33-36(32-27)19-22-6-7-22/h1-5,8-11,22,25-26,28,30,37H,6-7,12-20H2/t25-,26+,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin) expressed in HEK293 cells assessed as reduction in norepinephrine reuptake				Bioorg Med Chem Lett 27: 1094-1098 (2017) Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50236726 (CHEMBL4092411) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C18H16ClN5O5S/c1-20-15-11-16(23-10(22-15)6-4-8-3-5-9(19)30-8)24(7-21-11)17-13(26)12(25)14(29-17)18(27)28-2/h3,5,7,12-14,17,25-26H,1-2H3,(H,20,22,23)/t12-,13+,14-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50235122 (CHEMBL4065251) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C27H35N7O2/c1-2-34-30-25(29-31-34)19-32-14-16-33(17-15-32)27(36)22-10-8-20(9-11-22)18-23-12-13-24(28-23)26(35)21-6-4-3-5-7-21/h3-11,23-24,26,28,35H,2,12-19H2,1H3/t23-,24+,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin) expressed in HEK293 cells assessed as reduction in norepinephrine reuptake				Bioorg Med Chem Lett 27: 1094-1098 (2017) Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22411 (2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-aza...) Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6| Show InChI InChI=1S/C24H25N3O2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(26(19)2)23(20)24-25-14-22(30-24)17-7-9-18(10-8-17)27(28)29/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.97E+3	n/a	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50389125 (CHEMBL2064645) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C22H20F2N6O3/c1-25-19-15-20(29-14(28-19)6-4-10-3-5-12(23)13(24)7-10)30(9-27-15)16-11-8-22(11,21(33)26-2)18(32)17(16)31/h3,5,7,9,11,16-18,31-32H,8H2,1-2H3,(H,26,33)(H,25,28,29)/t11-,16-,17+,18+,22+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibit of purified bovine Farnesyl protein transferase.				J Med Chem 60: 3109-3123 (2017) Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22413 (5-(4-methoxyphenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4...) Show SMILES COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:28:27:15.16:19.18.13| Show InChI InChI=1S/C25H28N2OS/c1-16-4-6-17(7-5-16)21-14-19-10-13-22(27(19)2)24(21)25-26-15-23(29-25)18-8-11-20(28-3)12-9-18/h4-9,11-12,15,19,21-22,24H,10,13-14H2,1-3H3/t19-,21+,22+,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.63E+3	n/a	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22419 (5-(4-bromophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-m...) Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Br)cc1 |TLB:0:1:4.3:7.8.6| Show InChI InChI=1S/C24H25BrN2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(27(19)2)23(20)24-26-14-22(28-24)17-7-9-18(25)10-8-17/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.24E+3	n/a	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...				J Med Chem 50: 3686-95 (2007) Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50475951 (CHEMBL3988463) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CSSCC(NC(=O)[C@H](CSSC[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1 Show InChI InChI=1S/C57H85N17O17S4/c1-27(2)13-35-50(83)70-39-23-93-92-22-38(48(81)63-19-44(78)65-36(14-29-8-10-31(75)11-9-29)51(84)66-34(49(82)67-35)7-5-6-12-58)69-53(86)40(71-55(88)46(28(3)4)73-45(79)20-62-47(80)33(59)17-43(60)77)24-94-95-25-41(57(90)91)72-54(87)42-16-32(76)21-74(42)56(89)37(68-52(39)85)15-30-18-61-26-64-30/h8-11,18,26-28,32-42,46,75-76H,5-7,12-17,19-25,58-59H2,1-4H3,(H2,60,77)(H,61,64)(H,62,80)(H,63,81)(H,65,78)(H,66,84)(H,67,82)(H,68,85)(H,69,86)(H,70,83)(H,71,88)(H,72,87)(H,73,79)(H,90,91)/t32-,33+,34+,35+,36+,37+,38?,39?,40+,41+,42+,46+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET in COS7 cells				J Med Chem 49: 6561-8 (2006) Article DOI: 10.1021/jm060299h BindingDB Entry DOI: 10.7270/Q21R6T89
					More data for this Ligand-Target Pair

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