Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50330462'   

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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330462 (2-[3-(4-Quinolin-2-ylpiperazin-1-yl)propylthio]-5,...) Show SMILES O=c1[nH]c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CCCCc3c12 Show InChI InChI=1S/C26H29N5OS2/c32-24-23-19-7-2-4-9-21(19)34-25(23)29-26(28-24)33-17-5-12-30-13-15-31(16-14-30)22-11-10-18-6-1-3-8-20(18)27-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17H2,(H,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44.2	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
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