Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50178658'   

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 (Rattus norvegicus (rat))	BDBM50178658 (2-[[(3S,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@H]([C@H](CSCC(=O)NCCc2ccccc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H29ClN2OS/c1-26-14-12-22(19-7-9-21(24)10-8-19)20(15-26)16-28-17-23(27)25-13-11-18-5-3-2-4-6-18/h2-10,20,22H,11-17H2,1H3,(H,25,27)/t20-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]5HT uptake through SERT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
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