Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM105215'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM105215 (2-(4-Dodecyl-piperazin-1-yl)-6-nitroquinoline (12)) Show SMILES CCCCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C25H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-16-27-17-19-28(20-18-27)25-15-12-22-21-23(29(30)31)13-14-24(22)26-25/h12-15,21H,2-11,16-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16.1	-44.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
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