Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50058293'   

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 (Homo sapiens (Human))	BDBM50058293 (3-(4-Fluoro-phenyl)-8-(3-phenyl-propyl)-8-aza-bicy...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C24H28FNO2/c1-28-24(27)23-21(18-9-11-19(25)12-10-18)16-20-13-14-22(23)26(20)15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-23H,5,8,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus monkey caudate-putamen				J Med Chem 40: 1835-44 (1997) Article DOI: 10.1021/jm960868t BindingDB Entry DOI: 10.7270/Q2125RSX
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