BDBM50263965 CHEMBL491601::N-(4-(2,3-dihydrobenzo[b][1,4]oxathiin-7-yloxy)-3-((dimethylamino)methyl)phenyl)methanesulfonamide

SMILES: CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc2SCCOc2c1

InChI Key: InChIKey=OKRFWLHFFMDJDB-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 = 50263965   

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))	BDBM50263965 (CHEMBL491601 | N-(4-(2,3-dihydrobenzo[b][1,4]oxath...) Show SMILES CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc2SCCOc2c1 Show InChI InChI=1S/C18H22N2O4S2/c1-20(2)12-13-10-14(19-26(3,21)22)4-6-16(13)24-15-5-7-18-17(11-15)23-8-9-25-18/h4-7,10-11,19H,8-9,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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