BDBM50047110 2-{4-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide::CHEMBL19203

SMILES: O=S1(=O)N(CCCCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23

InChI Key: InChIKey=UBXASEWIPOFEEF-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 = 50047110   

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 (Rattus norvegicus (rat))	BDBM50047110 (2-{4-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...) Show SMILES O=S1(=O)N(CCCCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:11| Show InChI InChI=1S/C27H27N3O2S/c31-33(32)26-12-6-8-21-7-5-11-25(27(21)26)30(33)16-4-3-15-29-17-13-20(14-18-29)23-19-28-24-10-2-1-9-22(23)24/h1-2,5-13,19,28H,3-4,14-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair