BDBM50208768 2-[(2-butoxymethyl)piperazin-1-yl]-6-nitroquinoline::CHEMBL388651

SMILES: CCCCOCC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O

InChI Key: InChIKey=GEQKIQSZSGEDDI-UHFFFAOYSA-N

Data: 1 KI

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 = 50208768   

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))	BDBM50208768 (2-[(2-butoxymethyl)piperazin-1-yl]-6-nitroquinolin...) Show SMILES CCCCOCC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O |w:6.5| Show InChI InChI=1S/C18H24N4O3/c1-2-3-10-25-13-16-12-19-8-9-21(16)18-7-4-14-11-15(22(23)24)5-6-17(14)20-18/h4-7,11,16,19H,2-3,8-10,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat SERT				Bioorg Med Chem 15: 3499-504 (2007) Article DOI: 10.1016/j.bmc.2007.03.001 BindingDB Entry DOI: 10.7270/Q2SN08N4
					More data for this Ligand-Target Pair