Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50000451'   

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/3B (Rattus norvegicus-RAT)	BDBM50000451 (CHEMBL542668) Show SMILES Cl.COc1ccc2CCCc3cn(C4CN5CCC4CC5)c(=O)c1c23 |(5.24,-.05,;-2.68,4.31,;-2.67,3.08,;-1.33,2.31,;,3.1,;1.33,2.31,;1.33,.77,;2.67,,;2.67,-1.54,;1.33,-2.33,;,-1.54,;-1.33,-2.33,;-2.67,-1.54,;-4.01,-2.31,;-5.39,-1.47,;-6.79,-2.26,;-5.82,-3.45,;-4.71,-2.85,;-3.99,-3.93,;-5.4,-4.72,;-6.81,-3.88,;-2.67,,;-3.74,.62,;-1.33,.77,;)| Show InChI InChI=1S/C20H24N2O2.ClH/c1-24-17-6-5-14-3-2-4-15-11-22(20(23)19(17)18(14)15)16-12-21-9-7-13(16)8-10-21;/h5-6,11,13,16H,2-4,7-10,12H2,1H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine				J Med Chem 36: 2645-57 (1993) Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8
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