Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50232606'   

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))	BDBM50232606 (CHEMBL4083246) Show SMILES Cc1cncc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(34.42,-36.17,;33.64,-34.83,;34.41,-33.5,;33.64,-32.16,;32.1,-32.16,;31.34,-33.49,;29.79,-33.49,;29.02,-34.83,;29.65,-36.24,;28.5,-37.27,;27.17,-36.49,;27.15,-37.91,;24.99,-37.37,;25,-35.57,;25.56,-34.29,;25.64,-35.82,;24.24,-36.58,;23.92,-38.14,;27.49,-34.99,;32.1,-34.83,)| Show InChI InChI=1S/C14H19N5O/c1-10-6-15-7-12(17-10)18-13-16-8-14(20-13)9-19-4-2-11(14)3-5-19/h6-7,11H,2-5,8-9H2,1H3,(H,16,17,18)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
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