Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50467743'   

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))	BDBM50467743 (CHEMBL4281744) Show SMILES CN(C)CCC[C@]1(OCc2cc(CNC(=O)c3ccc(cc3)C(=O)c3ccc(OCC#C)cc3)ccc12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C37H35FN2O4/c1-4-22-43-33-17-11-28(12-18-33)35(41)27-7-9-29(10-8-27)36(42)39-24-26-6-19-34-30(23-26)25-44-37(34,20-5-21-40(2)3)31-13-15-32(38)16-14-31/h1,6-19,23H,5,20-22,24-25H2,2-3H3,(H,39,42)/t37-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from human SERT expressed in HEK293 cell membranes after 1 hr by gamma counting method				Bioorg Med Chem Lett 28: 3431-3435 (2018) Article DOI: 10.1016/j.bmcl.2018.09.029 BindingDB Entry DOI: 10.7270/Q20V8GHS
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