Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50030280   

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))	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))	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))	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))	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))	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))	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))	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