Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM22176'   

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))	BDBM22176 ((2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...) Show SMILES N[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C28H33F2N3O/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-32-14-16-33(17-15-32)21-27(31)20-22-4-2-1-3-5-22/h1-13,27-28H,14-21,31H2/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
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