Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50211205'   

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))	BDBM50211205 (CHEMBL3925945) Show SMILES COc1ccc2nc(NC3=NC4(CO3)CN3CCC4CC3)sc2c1 |t:9,THB:10:11:16.17:20.19,(18.31,-2.53,;16.82,-2.14,;15.74,-3.23,;16.14,-4.72,;15.05,-5.8,;13.58,-5.41,;12.29,-6.25,;11.09,-5.29,;9.6,-5.69,;9.21,-7.18,;7.77,-7.73,;7.85,-9.27,;9.34,-9.66,;10.18,-8.37,;8.16,-10.79,;6.66,-10.1,;5,-10.82,;4.79,-9.31,;6.39,-8.62,;6.46,-6.84,;6.94,-8.04,;11.64,-3.84,;13.18,-3.92,;14.26,-2.84,)| Show InChI InChI=1S/C17H20N4O2S/c1-22-12-2-3-13-14(8-12)24-16(18-13)19-15-20-17(10-23-15)9-21-6-4-11(17)5-7-21/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+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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