Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50304056'   

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))	BDBM50304056 (1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCC1CCN(CC1)C(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:36:35:43:32.31,16:6:1:4.3,THB:9:7:1:4.3,27:29:43:32.31| Show InChI InChI=1S/C37H48Cl2N4O2/c1-41-28-11-13-32(41)34(30(21-28)24-3-7-26(38)8-4-24)36(44)40-18-15-23-16-19-43(20-17-23)37(45)35-31(25-5-9-27(39)10-6-25)22-29-12-14-33(35)42(29)2/h3-10,23,28-35H,11-22H2,1-2H3,(H,40,44)/t28?,29?,30-,31-,32?,33?,34+,35-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
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