Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50206246'   

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))	BDBM50206246 (CHEMBL3919130) Show SMILES Clc1ccc2c(NC3=NC[C@]4(CN5CCC4CC5)O3)ncnn12 |r,wD:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(30.39,-13.24,;28.86,-13.32,;27.89,-12.12,;26.45,-12.67,;26.53,-14.21,;25.45,-15.3,;23.97,-14.9,;22.88,-15.99,;23.12,-17.51,;21.74,-18.21,;20.65,-17.12,;19.92,-18.39,;18.64,-17.81,;18.64,-15.89,;19.48,-14.82,;19.48,-16.44,;17.91,-17.12,;17.12,-18.3,;21.36,-15.75,;25.85,-16.79,;27.32,-17.18,;28.42,-16.1,;28.02,-14.61,)| Show InChI InChI=1S/C15H17ClN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+4	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) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
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