Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50261044'   

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))	BDBM50261044 (CHEMBL4068516) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnnn1CCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H24N6O2/c28-27(29)20-8-6-19(7-9-20)21-22-23-24-26(21)15-14-25-12-10-18(11-13-25)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-5-HT at human SERT expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV
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