Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50278564'   

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))	BDBM50278564 (CHEMBL471036 | Litoxetine | US9511061, Compound A) Show SMILES C(OC1CCNCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.90	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 reuptake at human serotonin transporter expressed in HEK293 cells after 5 mins by scintillation counting				Bioorg Med Chem Lett 19: 5893-7 (2009) Article DOI: 10.1016/j.bmcl.2009.08.066 BindingDB Entry DOI: 10.7270/Q28915Z6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50278564 (CHEMBL471036 | Litoxetine | US9511061, Compound A) Show SMILES C(OC1CCNCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 2329-32 (2009) Article DOI: 10.1016/j.bmcl.2009.02.054 BindingDB Entry DOI: 10.7270/Q2251J39
					More data for this Ligand-Target Pair