Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50098411'   

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))	BDBM50098411 (CHEMBL3593401) Show SMILES Cl.CC(=O)NCC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O2/c1-10(20)19-5-4-12-9-18-6-7-21-15(12)11-2-3-13(16)14(17)8-11/h2-3,8,12,15,18H,4-7,9H2,1H3,(H,19,20)/t12-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay				Bioorg Med Chem 23: 5000-14 (2015) Article DOI: 10.1016/j.bmc.2015.05.017 BindingDB Entry DOI: 10.7270/Q22F7Q6R
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