BDBM50264029 CHEMBL522584::N-(2-hydroxyethyl)-N-methyl-3-((methylamino)methyl)-4-(4-(methylthio)phenoxy)benzenesulfonamide

SMILES: CNCc1cc(ccc1Oc1ccc(SC)cc1)S(=O)(=O)N(C)CCO

InChI Key: InChIKey=LLPNSVGNDQVJJM-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50264029   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50264029 (CHEMBL522584 | N-(2-hydroxyethyl)-N-methyl-3-((met...) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)S(=O)(=O)N(C)CCO Show InChI InChI=1S/C18H24N2O4S2/c1-19-13-14-12-17(26(22,23)20(2)10-11-21)8-9-18(14)24-15-4-6-16(25-3)7-5-15/h4-9,12,19,21H,10-11,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5303-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.040 BindingDB Entry DOI: 10.7270/Q20K28DX
					More data for this Ligand-Target Pair