BDBM50263920 CHEMBL490383::N-(4-(3-fluoro-4-(methylthio)phenoxy)-3-((methylamino)methyl)phenyl)methanesulfonamide

SMILES: CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)c(F)c1

InChI Key: InChIKey=CDUCCZKHIIXOFH-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 = 50263920   

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))	BDBM50263920 (CHEMBL490383 | N-(4-(3-fluoro-4-(methylthio)phenox...) Show SMILES CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)c(F)c1 Show InChI InChI=1S/C16H19FN2O3S2/c1-18-10-11-8-12(19-24(3,20)21)4-6-15(11)22-13-5-7-16(23-2)14(17)9-13/h4-9,18-19H,10H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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