Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'foster' and Initial = 'jd'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334215 ((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(I)c1 |r| Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50293605 (1-(4-aminophenyl)-2-pyrrolidin-1-yl-pentan-1-one |...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N)cc1 Show InChI InChI=1S/C15H22N2O/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11,16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting				Bioorg Med Chem 17: 3770-4 (2009) Article DOI: 10.1016/j.bmc.2009.04.057 BindingDB Entry DOI: 10.7270/Q2SJ1KN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50182555 (1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one ...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting				Bioorg Med Chem 17: 3770-4 (2009) Article DOI: 10.1016/j.bmc.2009.04.057 BindingDB Entry DOI: 10.7270/Q2SJ1KN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50327148 ((R)-methyl 2-(4-iodophenyl)-2-((R)-piperidin-2-yl)...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(I)cc1 |r| Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50062915 (CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50293604 (1-(4-amino-3-iodophenyl)-2-pyrrolidin-1-yl-pentan-...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N)c(I)c1 Show InChI InChI=1S/C15H21IN2O/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-13(17)12(16)10-11/h6-7,10,14H,2-5,8-9,17H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting				Bioorg Med Chem 17: 3770-4 (2009) Article DOI: 10.1016/j.bmc.2009.04.057 BindingDB Entry DOI: 10.7270/Q2SJ1KN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50293606 (1-(4-azio-3-iodophenyl)-2-pyrroldin-1-yl-pentan-1-...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N=[N+]=[N-])c(I)c1 Show InChI InChI=1S/C15H19IN4O/c1-2-5-14(20-8-3-4-9-20)15(21)11-6-7-13(18-19-17)12(16)10-11/h6-7,10,14H,2-5,8-9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting				Bioorg Med Chem 17: 3770-4 (2009) Article DOI: 10.1016/j.bmc.2009.04.057 BindingDB Entry DOI: 10.7270/Q2SJ1KN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334214 ((+/-)-threo-N-(p-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-7-9-17(22)10-8-16)19-4-2-3-13-26(19)14-15-5-11-18(12-6-15)24-25-23/h5-12,19-20H,2-4,13-14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	441	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting				Bioorg Med Chem 17: 3770-4 (2009) Article DOI: 10.1016/j.bmc.2009.04.057 BindingDB Entry DOI: 10.7270/Q2SJ1KN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334212 ((+/-)-threo-N-(o-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(15-9-11-17(22)12-10-15)19-8-4-5-13-26(19)14-16-6-2-3-7-18(16)24-25-23/h2-3,6-7,9-12,19-20H,4-5,8,13-14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	517	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334211 ((+/-)-threo-N-(p-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-5-4-6-17(22)13-16)19-7-2-3-12-26(19)14-15-8-10-18(11-9-15)24-25-23/h4-6,8-11,13,19-20H,2-3,7,12,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	658	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334209 ((+/-)-threo-N-(o-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(15-8-6-9-17(22)13-15)19-11-4-5-12-26(19)14-16-7-2-3-10-18(16)24-25-23/h2-3,6-10,13,19-20H,4-5,11-12,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334210 ((+/-)-threo-N-(m-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-7-5-8-17(22)13-16)19-10-2-3-11-26(19)14-15-6-4-9-18(12-15)24-25-23/h4-9,12-13,19-20H,2-3,10-11,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334213 ((+/-)-threo-N-(m-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-8-10-17(22)11-9-16)19-7-2-3-12-26(19)14-15-5-4-6-18(13-15)24-25-23/h4-6,8-11,13,19-20H,2-3,7,12,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50293605 (1-(4-aminophenyl)-2-pyrrolidin-1-yl-pentan-1-one |...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N)cc1 Show InChI InChI=1S/C15H22N2O/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11,16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting				Bioorg Med Chem 17: 3770-4 (2009) Article DOI: 10.1016/j.bmc.2009.04.057 BindingDB Entry DOI: 10.7270/Q2SJ1KN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50327148 ((R)-methyl 2-(4-iodophenyl)-2-((R)-piperidin-2-yl)...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(I)cc1 |r| Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334215 ((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(I)c1 |r| Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50182555 (1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one ...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting				Bioorg Med Chem 17: 3770-4 (2009) Article DOI: 10.1016/j.bmc.2009.04.057 BindingDB Entry DOI: 10.7270/Q2SJ1KN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50062915 (CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50293604 (1-(4-amino-3-iodophenyl)-2-pyrrolidin-1-yl-pentan-...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N)c(I)c1 Show InChI InChI=1S/C15H21IN2O/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-13(17)12(16)10-11/h6-7,10,14H,2-5,8-9,17H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting				Bioorg Med Chem 17: 3770-4 (2009) Article DOI: 10.1016/j.bmc.2009.04.057 BindingDB Entry DOI: 10.7270/Q2SJ1KN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50293606 (1-(4-azio-3-iodophenyl)-2-pyrroldin-1-yl-pentan-1-...) Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N=[N+]=[N-])c(I)c1 Show InChI InChI=1S/C15H19IN4O/c1-2-5-14(20-8-3-4-9-20)15(21)11-6-7-13(18-19-17)12(16)10-11/h6-7,10,14H,2-5,8-9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting				Bioorg Med Chem 17: 3770-4 (2009) Article DOI: 10.1016/j.bmc.2009.04.057 BindingDB Entry DOI: 10.7270/Q2SJ1KN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	392	n/a	n/a	n/a	n/a	n/a	n/a
University of North Dakota School of Medicine and Health Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CFT from human DAT expressed in HEK293 cells				J Biol Chem 282: 8915-25 (2007) Article DOI: 10.1074/jbc.M610633200 BindingDB Entry DOI: 10.7270/Q2SJ1MJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Dakota School of Medicine and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells				J Biol Chem 282: 8915-25 (2007) Article DOI: 10.1074/jbc.M610633200 BindingDB Entry DOI: 10.7270/Q2SJ1MJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334212 ((+/-)-threo-N-(o-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(15-9-11-17(22)12-10-15)19-8-4-5-13-26(19)14-16-6-2-3-7-18(16)24-25-23/h2-3,6-7,9-12,19-20H,4-5,8,13-14H2,1H3/t19-,20-/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	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting				Bioorg Med Chem 17: 3770-4 (2009) Article DOI: 10.1016/j.bmc.2009.04.057 BindingDB Entry DOI: 10.7270/Q2SJ1KN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334211 ((+/-)-threo-N-(p-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-5-4-6-17(22)13-16)19-7-2-3-12-26(19)14-15-8-10-18(11-9-15)24-25-23/h4-6,8-11,13,19-20H,2-3,7,12,14H2,1H3/t19-,20-/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	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334209 ((+/-)-threo-N-(o-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(15-8-6-9-17(22)13-15)19-11-4-5-12-26(19)14-16-7-2-3-10-18(16)24-25-23/h2-3,6-10,13,19-20H,4-5,11-12,14H2,1H3/t19-,20-/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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334214 ((+/-)-threo-N-(p-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-7-9-17(22)10-8-16)19-4-2-3-13-26(19)14-15-5-11-18(12-6-15)24-25-23/h5-12,19-20H,2-4,13-14H2,1H3/t19-,20-/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	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334210 ((+/-)-threo-N-(m-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-7-5-8-17(22)13-16)19-10-2-3-11-26(19)14-15-6-4-9-18(12-15)24-25-23/h4-9,12-13,19-20H,2-3,10-11,14H2,1H3/t19-,20-/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	4.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334213 ((+/-)-threo-N-(m-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-8-10-17(22)11-9-16)19-7-2-3-12-26(19)14-15-5-4-6-18(13-15)24-25-23/h4-6,8-11,13,19-20H,2-3,7,12,14H2,1H3/t19-,20-/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	7.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair