Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50206235'   

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))	BDBM50206235 (4-(9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hex...) Show SMILES N#Cc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:8.8,14.14| Show InChI InChI=1S/C27H33N3O/c28-19-21-7-9-22(10-8-21)26-20-30-16-4-6-27(30)25-18-23(11-12-24(25)26)31-17-5-15-29-13-2-1-3-14-29/h7-12,18,26-27H,1-6,13-17,20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat brain SERT				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
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