Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50211221'   

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))	BDBM50211221 (CHEMBL3982852) Show SMILES C1N=C(Nc2ccc3scnc3c2)OC11CN2CCC1CC2 |t:1,THB:13:14:17.18:21.20,(27.32,-19.86,;28.16,-18.56,;27.19,-17.37,;27.58,-15.88,;29.07,-15.48,;29.45,-14,;30.93,-13.6,;32.03,-14.68,;33.57,-14.59,;34.13,-16.03,;32.94,-17,;31.64,-16.17,;30.15,-16.57,;25.75,-17.93,;25.84,-19.46,;26.14,-20.98,;24.65,-20.29,;22.99,-21.01,;22.77,-19.51,;24.37,-18.81,;24.45,-17.03,;24.92,-18.24,)| Show InChI InChI=1S/C16H18N4OS/c1-2-14-13(18-10-22-14)7-12(1)19-15-17-8-16(21-15)9-20-5-3-11(16)4-6-20/h1-2,7,10-11H,3-6,8-9H2,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
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