Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50211204'   

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))	BDBM50211204 (CHEMBL3972330) Show SMILES Cc1ccc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2c1 |t:8,THB:19:11:14.15:18.17,(71.05,-33.3,;69.97,-34.4,;70.37,-35.88,;69.29,-36.97,;67.81,-36.57,;66.52,-37.42,;65.32,-36.45,;63.83,-36.85,;63.44,-38.34,;64.41,-39.54,;63.57,-40.83,;62.08,-40.43,;62.39,-41.95,;60.89,-41.27,;59.23,-41.98,;59.02,-40.48,;60.62,-39.78,;60.69,-38,;61.17,-39.21,;62,-38.9,;65.87,-35.01,;67.41,-35.09,;68.49,-34.01,)| Show InChI InChI=1S/C17H20N4OS/c1-11-2-3-13-14(8-11)23-16(19-13)20-15-18-9-17(22-15)10-21-6-4-12(17)5-7-21/h2-3,8,12H,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	3.80E+3	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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