Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50307820'   

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))	BDBM50307820 (1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]n...) Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2ccc(OCc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H30N4O2/c1-28-19-9-6-10-20(28)14-18(13-19)26-25(30)24-22-15-21(11-12-23(22)29(2)27-24)31-16-17-7-4-3-5-8-17/h3-5,7-8,11-12,15,18-20H,6,9-10,13-14,16H2,1-2H3,(H,26,30)/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
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