Compile Data Set for Download or QSAR

Found 530 hits with Last Name = 'howell' and Initial = 'l'   

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))	BDBM50139957 (2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				J Med Chem 49: 942-6 (2006) Article DOI: 10.1021/jm050799v BindingDB Entry DOI: 10.7270/Q2RV0N8H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50124564 (CHEMBL174088 | methyl 3-{4-[2-iodo-(Z)-1-ethenyl]p...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C/I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-/t13?,14-,15?,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50219561 (2-beta-carbo(2-fluoroethoxy)-3-beta-(4'-((Z)-2-iod...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |w:10.9,12.13,7.24,6.5,TEB:4:6:8.9:22,13:12:8.9:22| Show InChI InChI=1S/C18H21FINO2/c19-8-10-23-18(22)17-15(11-14-5-6-16(17)21-14)13-3-1-12(2-4-13)7-9-20/h1-4,7,9,14-17,21H,5-6,8,10-11H2/b9-7-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity to human SERT expressed in HEK293 cells				J Med Chem 50: 4553-60 (2007) Article DOI: 10.1021/jm061303s BindingDB Entry DOI: 10.7270/Q2ZP45V0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50241199 ((Z)-2-[18F]fluoroethyl 3-(4-(2-iodovinyl)phenyl)-8...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8| Show InChI InChI=1S/C18H21FINO2/c19-8-10-23-18(22)17-15(11-14-5-6-16(17)21-14)13-3-1-12(2-4-13)7-9-20/h1-4,7,9,14-17,21H,5-6,8,10-11H2/b9-7-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50124565 (CHEMBL353333 | methyl 3-(4-iodophenyl)-(2S,3S)-8-a...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11?,12-,13?,14+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50247065 (2beta-Carbo(2-fluoropropoxy)-3beta-(3'-((Z)-2-iodo...) Show SMILES FCCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/I)c1)N2 |TLB:14:13:23:10.9,THB:5:7:23:10.9| Show InChI InChI=1S/C19H23FINO2/c20-8-2-10-24-19(23)18-16(12-15-5-6-17(18)22-15)14-4-1-3-13(11-14)7-9-21/h1,3-4,7,9,11,15-18,22H,2,5-6,8,10,12H2/b9-7-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50160248 ((2S,3S)-2-[alpha-(2-Methylphenylthio)phenylmethyl]...) Show SMILES Cc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NOS/c1-14-7-5-6-10-17(14)21-18(15-8-3-2-4-9-15)16-13-19-11-12-20-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50247066 (2beta-Carbo(2-fluoropropoxy)-3beta-(3'-((Z)-2-bmor...) Show SMILES FCCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:14:13:23:10.9,THB:5:7:23:10.9| Show InChI InChI=1S/C19H23BrFNO2/c20-8-7-13-3-1-4-14(11-13)16-12-15-5-6-17(22-15)18(16)19(23)24-10-2-9-21/h1,3-4,7-8,11,15-18,22H,2,5-6,9-10,12H2/b8-7-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50247029 (2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((Z)-2-bromo...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8| Show InChI InChI=1S/C18H21BrFNO2/c19-7-6-12-2-1-3-13(10-12)15-11-14-4-5-16(21-14)17(15)18(22)23-9-8-20/h1-3,6-7,10,14-17,21H,4-5,8-9,11H2/b7-6-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50323773 (CHEMBL1214007 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23BrFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50247028 (2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((Z)-2-iodoe...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/I)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8| Show InChI InChI=1S/C18H21FINO2/c19-7-9-23-18(22)17-15(11-14-4-5-16(17)21-14)13-3-1-2-12(10-13)6-8-20/h1-3,6,8,10,14-17,21H,4-5,7,9,11H2/b8-6-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50006774 ((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50323774 (CHEMBL1214059 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23FINO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50323772 (CHEMBL1214006 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23ClFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50006774 ((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50199005 ((S)-2-((S)-(2-methoxyphenoxy)(phenyl)methyl)morpho...) Show SMILES COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302225 ((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H](R,S)-citalopram HBr from human SERT				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50254209 ((2S,3S)-2-[alpha-(2-Methylphenoxy)phenylmethyl]mor...) Show SMILES Cc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO2/c1-14-7-5-6-10-16(14)21-18(15-8-3-2-4-9-15)17-13-19-11-12-20-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50370475 (S,S-REBOXETINE) Show SMILES CCOc1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50124567 (CHEMBL173427 | methyl 3-{4-[2-iodo-(E)-1-ethenyl]p...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C\I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8+/t13?,14-,15?,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50006774 ((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro competitive binding versus [3H]- nisoxatine in murine kidney cells transfected with cDNA for human norepinephrine transporter (NET)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50028091 ((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...) Show SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50124567 (CHEMBL173427 | methyl 3-{4-[2-iodo-(E)-1-ethenyl]p...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C\I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8+/t13?,14-,15?,16+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50323774 (CHEMBL1214059 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23FINO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H](R,S)-citalopram HBr from human SERT				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50323775 (CHEMBL1214060 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16?,17-,18?,19+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50254210 ((2S,3S)-2-[alpha-(2-(2-Fluoroethyl)phenoxy)phenylm...) Show SMILES FCCc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C19H22FNO2/c20-11-10-15-6-4-5-9-17(15)23-19(16-7-2-1-3-8-16)18-14-21-12-13-22-18/h1-9,18-19,21H,10-14H2/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50124564 (CHEMBL174088 | methyl 3-{4-[2-iodo-(Z)-1-ethenyl]p...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C/I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-/t13?,14-,15?,16+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50254211 ((2S,3S)-2-[alpha-(2-(3-Fluoropropyl)phenoxy)phenyl...) Show SMILES FCCCc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C20H24FNO2/c21-12-6-10-16-7-4-5-11-18(16)24-20(17-8-2-1-3-9-17)19-15-22-13-14-23-19/h1-5,7-9,11,19-20,22H,6,10,12-15H2/t19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50139957 (2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [123I]RTI-55 from DAT				J Med Chem 49: 942-6 (2006) Article DOI: 10.1021/jm050799v BindingDB Entry DOI: 10.7270/Q2RV0N8H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50323773 (CHEMBL1214007 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23BrFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H](R,S)-citalopram HBr from human SERT				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50124566 ((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...) Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50323771 (CHEMBL1214005 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23F2NO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50323772 (CHEMBL1214006 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23ClFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H](R,S)-citalopram HBr from human SERT				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50241199 ((Z)-2-[18F]fluoroethyl 3-(4-(2-iodovinyl)phenyl)-8...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8| Show InChI InChI=1S/C18H21FINO2/c19-8-10-23-18(22)17-15(11-14-5-6-16(17)21-14)13-3-1-12(2-4-13)7-9-20/h1-4,7,9,14-17,21H,5-6,8,10-11H2/b9-7-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]RTI-55 from human DAT transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50219561 (2-beta-carbo(2-fluoroethoxy)-3-beta-(4'-((Z)-2-iod...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |w:10.9,12.13,7.24,6.5,TEB:4:6:8.9:22,13:12:8.9:22| Show InChI InChI=1S/C18H21FINO2/c19-8-10-23-18(22)17-15(11-14-5-6-16(17)21-14)13-3-1-12(2-4-13)7-9-20/h1-4,7,9,14-17,21H,5-6,8,10-11H2/b9-7-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity to human DAT expressed in HEK293 cells				J Med Chem 50: 4553-60 (2007) Article DOI: 10.1021/jm061303s BindingDB Entry DOI: 10.7270/Q2ZP45V0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50160248 ((2S,3S)-2-[alpha-(2-Methylphenylthio)phenylmethyl]...) Show SMILES Cc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NOS/c1-14-7-5-6-10-17(14)21-18(15-8-3-2-4-9-15)16-13-19-11-12-20-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50139957 (2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET				J Med Chem 49: 942-6 (2006) Article DOI: 10.1021/jm050799v BindingDB Entry DOI: 10.7270/Q2RV0N8H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50247067 (2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((E)-2-iodoe...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C\I)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8| Show InChI InChI=1S/C18H21FINO2/c19-7-9-23-18(22)17-15(11-14-4-5-16(17)21-14)13-3-1-2-12(10-13)6-8-20/h1-3,6,8,10,14-17,21H,4-5,7,9,11H2/b8-6+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50124564 (CHEMBL174088 | methyl 3-{4-[2-iodo-(Z)-1-ethenyl]p...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C/I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-/t13?,14-,15?,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro competitive binding versus [3H]- nisoxatine in murine kidney cells transfected with cDNA for human norepinephrine transporter (NET)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50219561 (2-beta-carbo(2-fluoroethoxy)-3-beta-(4'-((Z)-2-iod...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |w:10.9,12.13,7.24,6.5,TEB:4:6:8.9:22,13:12:8.9:22| Show InChI InChI=1S/C18H21FINO2/c19-8-10-23-18(22)17-15(11-14-5-6-16(17)21-14)13-3-1-12(2-4-13)7-9-20/h1-4,7,9,14-17,21H,5-6,8,10-11H2/b9-7-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity to human NET expressed in HEK293 cells				J Med Chem 50: 4553-60 (2007) Article DOI: 10.1021/jm061303s BindingDB Entry DOI: 10.7270/Q2ZP45V0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50241199 ((Z)-2-[18F]fluoroethyl 3-(4-(2-iodovinyl)phenyl)-8...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8| Show InChI InChI=1S/C18H21FINO2/c19-8-10-23-18(22)17-15(11-14-5-6-16(17)21-14)13-3-1-12(2-4-13)7-9-20/h1-4,7,9,14-17,21H,5-6,8,10-11H2/b9-7-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50247066 (2beta-Carbo(2-fluoropropoxy)-3beta-(3'-((Z)-2-bmor...) Show SMILES FCCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:14:13:23:10.9,THB:5:7:23:10.9| Show InChI InChI=1S/C19H23BrFNO2/c20-8-7-13-3-1-4-14(11-13)16-12-15-5-6-17(22-15)18(16)19(23)24-10-2-9-21/h1,3-4,7-8,11,15-18,22H,2,5-6,9-10,12H2/b8-7-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50124567 (CHEMBL173427 | methyl 3-{4-[2-iodo-(E)-1-ethenyl]p...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C\I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8+/t13?,14-,15?,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [3H]- nisoxatine in murine kidney cells transfected with cDNA for human norepinephrine transporter (NET)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247029 (2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((Z)-2-bromo...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8| Show InChI InChI=1S/C18H21BrFNO2/c19-7-6-12-2-1-3-13(10-12)15-11-14-4-5-16(21-14)17(15)18(22)23-9-8-20/h1-3,6-7,10,14-17,21H,4-5,8-9,11H2/b7-6-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]RTI-55 from human DAT transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50124566 ((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...) Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50247065 (2beta-Carbo(2-fluoropropoxy)-3beta-(3'-((Z)-2-iodo...) Show SMILES FCCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/I)c1)N2 |TLB:14:13:23:10.9,THB:5:7:23:10.9| Show InChI InChI=1S/C19H23FINO2/c20-8-2-10-24-19(23)18-16(12-15-5-6-17(18)22-15)14-4-1-3-13(11-14)7-9-21/h1,3-4,7,9,11,15-18,22H,2,5-6,8,10,12H2/b9-7-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair

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