Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50252535'   

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))	BDBM50252535 (5-Fluoro-3-{cis-4-[4-(1H-indol-4-yl)-1-piperazinyl...) Show SMILES Cn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(F)ccc12 |r,wU:7.10,4.3,(34.32,5.15,;33.06,4.26,;31.6,4.75,;30.68,3.52,;29.15,3.53,;28.39,4.87,;26.85,4.89,;26.07,3.56,;26.83,2.22,;28.36,2.2,;24.53,3.57,;23.76,2.24,;22.22,2.26,;21.46,3.59,;22.24,4.92,;23.77,4.92,;19.92,3.59,;19.16,4.93,;17.62,4.94,;16.84,3.61,;17.61,2.26,;17.13,.79,;18.38,-.11,;19.63,.8,;19.15,2.26,;31.58,2.27,;31.24,.78,;32.36,-.26,;32.03,-1.77,;33.83,.2,;34.17,1.69,;33.04,2.72,)| Show InChI InChI=1S/C27H31FN4/c1-30-18-24(23-17-20(28)7-10-26(23)30)19-5-8-21(9-6-19)31-13-15-32(16-14-31)27-4-2-3-25-22(27)11-12-29-25/h2-4,7,10-12,17-19,21,29H,5-6,8-9,13-16H2,1H3/t19-,21+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from rat cortical 5HTT reuptake site				Bioorg Med Chem 16: 6707-23 (2008) Article DOI: 10.1016/j.bmc.2008.05.075 BindingDB Entry DOI: 10.7270/Q2GT5MZ4
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