Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50172776'   

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))	BDBM50172776 (3-(3-Methylamino-propyl)-1-p-tolyl-3,4-dihydro-1H-...) Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccc(C)cc1 Show InChI InChI=1S/C20H24N2O/c1-15-9-11-18(12-10-15)22-19-8-4-3-6-16(19)14-17(20(22)23)7-5-13-21-2/h3-4,6,8-12,17,21H,5,7,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Ltd Curated by ChEMBL					Assay Description Inhibitio of monoamine reuptake at serotonin transporter				Bioorg Med Chem Lett 15: 4432-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.038 BindingDB Entry DOI: 10.7270/Q2G44PTW
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