Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'malveaux' and Initial = 'g'   

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))	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))	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 dopamine transporter (Homo sapiens (Human))	BDBM50085072 (1-{2-[(3-Fluoro-phenyl)-(4-fluoro-phenyl)-methoxy]...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1 Show InChI InChI=1S/C28H32F2N2O/c29-26-13-11-24(12-14-26)28(25-9-4-10-27(30)22-25)33-21-20-32-18-16-31(17-19-32)15-5-8-23-6-2-1-3-7-23/h1-4,6-7,9-14,22,28H,5,8,15-21H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Competitive binding versus [N-methyl-3H]-WIN 35,428 in murine kidney cells transfected with human dopamine transporter				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50085071 (3-(4-Iodo-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]non...) Show SMILES COC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(I)cc1 |TLB:11:10:4.13.12:6.7,THB:2:4:10.9:6.7,14:13:10.9:6.7| Show InChI InChI=1S/C17H22INO2/c1-19-10-11-3-8-15(19)16(17(20)21-2)14(9-11)12-4-6-13(18)7-5-12/h4-7,11,14-16H,3,8-10H2,1-2H3/t11?,14-,15?,16?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 affinity determined using [3H]-WIN- 35428 in murine kidney cells transfected with human dopamine transporter (DAT)				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					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 serotonin transporter (Homo sapiens (Human))	BDBM50085071 (3-(4-Iodo-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]non...) Show SMILES COC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(I)cc1 |TLB:11:10:4.13.12:6.7,THB:2:4:10.9:6.7,14:13:10.9:6.7| Show InChI InChI=1S/C17H22INO2/c1-19-10-11-3-8-15(19)16(17(20)21-2)14(9-11)12-4-6-13(18)7-5-12/h4-7,11,14-16H,3,8-10H2,1-2H3/t11?,14-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 affinity determined using [3H]-citalopram in murine kidney cells transfected with human serotonin transporter (SERT)				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					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 dopamine transporter (Homo sapiens (Human))	BDBM50085069 (3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]n...) Show SMILES CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1 |TLB:13:12:6.15.14:8.9,THB:4:6:12.11:8.9,16:15:12.11:8.9| Show InChI InChI=1S/C19H26ClNO2/c1-12(2)23-19(22)18-16(14-5-7-15(20)8-6-14)10-13-4-9-17(18)21(3)11-13/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t13?,16-,17?,18?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition constant against [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with human dopamine transporter.				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					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))	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 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 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 dopamine 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+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition constant against [3H]-citalopram in murine kidney cells transfected with human dopamine transporter				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					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))	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 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 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))	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 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 serotonin transporter (Homo sapiens (Human))	BDBM50085069 (3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]n...) Show SMILES CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1 |TLB:13:12:6.15.14:8.9,THB:4:6:12.11:8.9,16:15:12.11:8.9| Show InChI InChI=1S/C19H26ClNO2/c1-12(2)23-19(22)18-16(14-5-7-15(20)8-6-14)10-13-4-9-17(18)21(3)11-13/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t13?,16-,17?,18?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	427	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition constant against [3H]-citalopram in murine kidney cells transfected with human serotonin transporter.				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50124562 (1-[3-(4-isopropenylphenyl)-(2S,3S)-8-azabicyclo[3....) Show SMILES CCC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)C(C)=C)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C19H25NO/c1-4-18(21)19-16(11-15-9-10-17(19)20-15)14-7-5-13(6-8-14)12(2)3/h5-8,15-17,19-20H,2,4,9-11H2,1,3H3/t15?,16-,17?,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity towards serotonin transporter (SERT) by using [3H]-paroxetine as radioligand				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))	BDBM50124569 (1-[3-(4-vinylphenyl)-(2S,3S)-8-azabicyclo[3.2.1]oc...) Show SMILES CCC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:6.7,THB:2:4:19:6.7| Show InChI InChI=1S/C18H23NO/c1-3-12-5-7-13(8-6-12)15-11-14-9-10-16(19-14)18(15)17(20)4-2/h3,5-8,14-16,18-19H,1,4,9-11H2,2H3/t14?,15-,16?,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity towards serotonin transporter (SERT) by using [3H]-paroxetine as radioligand				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))	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	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity towards 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))	BDBM50124568 (CHEMBL435341 | methyl 8-methyl-3-{4-[(Z)-1-propeny...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C/C)cc1)N2C |TLB:11:10:20:6.7,THB:21:20:4.10.9:6.7,2:4:20:6.7| Show InChI InChI=1S/C19H25NO2/c1-4-5-13-6-8-14(9-7-13)16-12-15-10-11-17(20(15)2)18(16)19(21)22-3/h4-9,15-18H,10-12H2,1-3H3/b5-4-/t15?,16-,17?,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity towards serotonin transporter (SERT) by using [3H]-paroxetine as radioligand				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))	BDBM50124563 (CHEMBL173594 | methyl 8-methyl-3-{4-[(E)-1-propeny...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C\C)cc1)N2C |TLB:11:10:20:6.7,THB:21:20:4.10.9:6.7,2:4:20:6.7| Show InChI InChI=1S/C19H25NO2/c1-4-5-13-6-8-14(9-7-13)16-12-15-10-11-17(20(15)2)18(16)19(21)22-3/h4-9,15-18H,10-12H2,1-3H3/b5-4+/t15?,16-,17?,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity towards serotonin transporter (SERT) by using [3H]-paroxetine as radioligand				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))	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	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity towards 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))	BDBM50124563 (CHEMBL173594 | methyl 8-methyl-3-{4-[(E)-1-propeny...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C\C)cc1)N2C |TLB:11:10:20:6.7,THB:21:20:4.10.9:6.7,2:4:20:6.7| Show InChI InChI=1S/C19H25NO2/c1-4-5-13-6-8-14(9-7-13)16-12-15-10-11-17(20(15)2)18(16)19(21)22-3/h4-9,15-18H,10-12H2,1-3H3/b5-4+/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	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter (DAT) by using [3H]-WIN-35,428 as radioligand				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))	BDBM50124568 (CHEMBL435341 | methyl 8-methyl-3-{4-[(Z)-1-propeny...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C/C)cc1)N2C |TLB:11:10:20:6.7,THB:21:20:4.10.9:6.7,2:4:20:6.7| Show InChI InChI=1S/C19H25NO2/c1-4-5-13-6-8-14(9-7-13)16-12-15-10-11-17(20(15)2)18(16)19(21)22-3/h4-9,15-18H,10-12H2,1-3H3/b5-4-/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	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter (DAT) by using [3H]-WIN-35,428 as radioligand				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