Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50259945'   

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))	BDBM50259945 (CHEMBL4093984) Show SMILES Clc1cnc(NC2=NCC3(CN4CCC3CC4)N2)cn1 |t:6,THB:17:9:12.13:15.16,(39.13,-2.88,;37.59,-2.88,;36.81,-1.53,;35.27,-1.54,;34.51,-2.87,;32.97,-2.87,;32.19,-4.21,;32.82,-5.62,;31.67,-6.64,;30.34,-5.87,;30.13,-7.26,;28.21,-6.45,;26.81,-7.38,;27.16,-5.99,;28.85,-5.23,;28.79,-3.59,;28.2,-4.98,;30.66,-4.37,;35.27,-4.21,;36.81,-4.21,)| Show InChI InChI=1S/C13H17ClN6/c14-10-5-16-11(6-15-10)18-12-17-7-13(19-12)8-20-3-1-9(13)2-4-20/h5-6,9H,1-4,7-8H2,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease in calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 578-581 (2017) Article DOI: 10.1016/j.bmcl.2016.12.014 BindingDB Entry DOI: 10.7270/Q28P62ZN
					More data for this Ligand-Target Pair