Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50276644'   

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))	BDBM50276644 (CHEMBL455221 | trans-2-Aminomethyl-5-(5''-fluoro-2...) Show SMILES COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C16H24FNO2/c1-19-16-9-6-13(17)10-12(16)4-2-3-5-14-7-8-15(11-18)20-14/h6,9-10,14-15H,2-5,7-8,11,18H2,1H3/t14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human SERT expressed in HEK cells				Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50276644 (CHEMBL455221 | trans-2-Aminomethyl-5-(5''-fluoro-2...) Show SMILES COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C16H24FNO2/c1-19-16-9-6-13(17)10-12(16)4-2-3-5-14-7-8-15(11-18)20-14/h6,9-10,14-15H,2-5,7-8,11,18H2,1H3/t14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK cells				Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0
					More data for this Ligand-Target Pair