Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50297096'   

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))	BDBM50297096 ((S)-N-cyclopentyl-2-(methylthio)-N-(pyrrolidin-3-y...) Show SMILES CSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C17H24N2OS/c1-21-16-9-5-4-8-15(16)17(20)19(13-6-2-3-7-13)14-10-11-18-12-14/h4-5,8-9,13-14,18H,2-3,6-7,10-12H2,1H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human recombinant SERT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
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