Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50452110'   

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))	BDBM50452110 (CHEMBL2112354) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccoc2c1 Show InChI InChI=1S/C26H30N2O3/c1-17-12-23-24(27-17)4-3-5-25(23)31-16-22(29)15-28-10-8-21(13-18(28)2)20-7-6-19-9-11-30-26(19)14-20/h3-7,9,11-12,14,18,21-22,27,29H,8,10,13,15-16H2,1-2H3/t18-,21+,22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine				Bioorg Med Chem Lett 14: 2653-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.088 BindingDB Entry DOI: 10.7270/Q2GF0SZH
					More data for this Ligand-Target Pair