Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50211097'   

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))	BDBM50211097 (CHEMBL3973872) Show SMILES C1N=C(Nc2ccccc2)OC11CN2CCC1CC2 |t:1,THB:10:11:14.15:18.17,(7.22,-8.53,;8.06,-7.24,;7.09,-6.04,;7.48,-4.55,;8.97,-4.15,;10.05,-5.24,;11.54,-4.84,;11.93,-3.35,;10.83,-2.26,;9.35,-2.67,;5.65,-6.6,;5.73,-8.13,;6.04,-9.65,;4.54,-8.97,;2.88,-9.68,;2.67,-8.18,;4.27,-7.48,;4.34,-5.7,;4.82,-6.91,)| Show InChI InChI=1S/C15H19N3O/c1-2-4-13(5-3-1)17-14-16-10-15(19-14)11-18-8-6-12(15)7-9-18/h1-5,12H,6-11H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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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