Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50160890'   

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))	BDBM50160890 (3-[4-(5-Iodo-thiophen-2-yl)-phenyl]-8-methyl-8-aza...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(I)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7| Show InChI InChI=1S/C20H22INO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
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