Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50175145'   

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 (Rattus norvegicus (rat))	BDBM50175145 (8-(2-aminoethyl)-N-(bis(4-fluorophenyl)methyl)-8-a...) Show SMILES NCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H27F2N3/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)26-19-13-20-9-10-21(14-19)27(20)12-11-25/h1-8,19-22,26H,9-14,25H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN-from DAT in rat brain membrane				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50175145 (8-(2-aminoethyl)-N-(bis(4-fluorophenyl)methyl)-8-a...) Show SMILES NCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H27F2N3/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)26-19-13-20-9-10-21(14-19)27(20)12-11-25/h1-8,19-22,26H,9-14,25H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair