Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50178388'   

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))	BDBM50178388 ((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-5,6...) Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(O)=O Show InChI InChI=1S/C18H17Cl2NO2/c1-21-17-7-5-12(10-3-6-15(19)16(20)9-10)14-8-11(18(22)23)2-4-13(14)17/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H,22,23)/t12-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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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