Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50174844'   

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))	BDBM50174844 (3-biphenyl-2-yl-8-chloromethyl-8-methyl-8-azonia-b...) Show SMILES C[N+]1(CCl)C2CCC1C=C(C2)c1ccccc1-c1ccccc1 |c:9,TLB:0:1:9.10.8:5.6,THB:2:1:9.10.8:5.6,11:9:1:5.6| Show InChI InChI=1S/C21H23ClN/c1-23(15-22)18-11-12-19(23)14-17(13-18)21-10-6-5-9-20(21)16-7-3-2-4-8-16/h2-10,13,18-19H,11-12,14-15H2,1H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair