Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50178393'   

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 serotonin transporter (Homo sapiens (Human))	BDBM50178393 ((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-3-(...) Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(O)=O)c(NS(C)(=O)=O)cc12 Show InChI InChI=1S/C19H20Cl2N2O4S/c1-22-17-6-4-11(10-3-5-15(20)16(21)7-10)12-8-14(19(24)25)18(9-13(12)17)23-28(2,26)27/h3,5,7-9,11,17,22-23H,4,6H2,1-2H3,(H,24,25)/t11-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells				Bioorg Med Chem Lett 16: 1434-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.031 BindingDB Entry DOI: 10.7270/Q2F47NRD
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