Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50297094'   

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))	BDBM50297094 ((S)-N-(cyclobutylmethyl)-2-ethyl-N-(pyrrolidin-3-y...) Show SMILES CCc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C18H26N2O/c1-2-15-8-3-4-9-17(15)18(21)20(13-14-6-5-7-14)16-10-11-19-12-16/h3-4,8-9,14,16,19H,2,5-7,10-13H2,1H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	237	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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