Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50057095'   

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))	BDBM50057095 (5-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4NC(=O)Cc4c3)CCCc12 Show InChI InChI=1S/C23H28N2O2/c1-25(12-11-16-9-10-21-18(13-16)14-23(26)24-21)15-17-5-3-7-20-19(17)6-4-8-22(20)27-2/h4,6,8-10,13,17H,3,5,7,11-12,14-15H2,1-2H3,(H,24,26)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
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