Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50304391'   

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))	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)/t11-,12+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant DAT expressed in HEK293 cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)/t11-,12+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at human DAT expressed in HEK293 cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair