Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50252279'   

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))	BDBM50252279 (3-[(1,4-trans)-4-(4-Quinoxalin-5-yl-piperazin-1-yl...) Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1 |r,wU:9.8,wD:12.15,(12.55,-43.28,;12.96,-44.78,;13.27,-46.29,;14.73,-46.78,;15.03,-48.29,;13.88,-49.31,;13.86,-50.84,;12.39,-51.3,;11.5,-50.05,;9.96,-50.04,;9.18,-51.36,;7.64,-51.35,;6.89,-50,;7.66,-48.68,;9.2,-48.69,;5.35,-49.99,;4.57,-51.32,;3.03,-51.31,;2.27,-49.98,;3.05,-48.65,;4.59,-48.65,;.73,-49.97,;-.04,-51.3,;-1.57,-51.3,;-2.34,-49.96,;-1.56,-48.63,;-2.32,-47.3,;-1.55,-45.98,;-.01,-45.98,;.75,-47.32,;-.03,-48.64,;12.42,-48.81,;12.12,-47.31,)| Show InChI InChI=1S/C27H28N6/c28-17-19-4-9-24-22(16-19)23(18-31-24)20-5-7-21(8-6-20)32-12-14-33(15-13-32)26-3-1-2-25-27(26)30-11-10-29-25/h1-4,9-11,16,18,20-21,31H,5-8,12-15H2/t20-,21-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.6	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
					More data for this Ligand-Target Pair