Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50307829'   

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))	BDBM50307829 (5,5-difluoro-7,9-dimethyl-3-(2-(3-(3-((1S,5S)-9-me...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(CCCNC(=O)C\[NH+]=C2\C=CC3=Cc4c(C)cc(C)n4[B-](F)(F)N23)c2ccccc12 |c:27,t:29| Show InChI InChI=1S/C33H40BF2N8O2/c1-21-16-22(2)43-29(21)19-26-12-13-30(44(26)34(43,35)36)38-20-31(45)37-14-7-15-42-28-11-5-4-10-27(28)32(40-42)33(46)39-23-17-24-8-6-9-25(18-23)41(24)3/h4-5,10-13,16,19,23-25H,6-9,14-15,17-18,20H2,1-3H3,(H,37,45)(H,39,46)/q-1/p+1/b38-30-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor in HEK293 cells assessed as cell labeling by confocal microscopy				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
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