Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50530424'   

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))	BDBM50530424 (CHEMBL4533922) Show SMILES Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCNCC3)c2n1 Show InChI InChI=1S/C15H20ClN5O/c1-9-8-21-13(17)12(16)6-11(14(21)20-9)15(22)19-7-10-2-4-18-5-3-10/h6,8,10,18H,2-5,7,17H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3 receptor (unknown origin)				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569 BindingDB Entry DOI: 10.7270/Q2H41VXG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50530424 (CHEMBL4533922) Show SMILES Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCNCC3)c2n1 Show InChI InChI=1S/C15H20ClN5O/c1-9-8-21-13(17)12(16)6-11(14(21)20-9)15(22)19-7-10-2-4-18-5-3-10/h6,8,10,18H,2-5,7,17H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3 receptor (unknown origin)				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569 BindingDB Entry DOI: 10.7270/Q2H41VXG
					More data for this Ligand-Target Pair