Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50490636'   

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))	BDBM50490636 (CHEMBL2337599) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cccc(c1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C18H18N2O/c19-12-14-5-4-8-17(11-14)21-18(16-9-10-20-13-16)15-6-2-1-3-7-15/h1-8,11,16,18,20H,9-10,13H2/t16-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
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