Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50211214'   

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))	BDBM50211214 (CHEMBL3934387) Show SMILES [H][C@@]12CN(CC11CN=C(Nc3nc4ccccc4s3)O1)CCC2 |r,t:8,TLB:6:5:2:21.20.22,THB:19:5:2:21.20.22| Show InChI InChI=1S/C16H18N4OS/c1-2-6-13-12(5-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-3-4-11(16)8-20/h1-2,5-6,11H,3-4,7-10H2,(H,17,18,19)/t11-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	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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