Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B/3C/3D/3E' and Ligand = 'BDBM50408173'   

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/3B/3C/3D/3E (Homo sapiens (Human))	BDBM50408173 (CHEMBL52612) Show SMILES C(N1CCN(CC1)c1ncccc1-n1cccc1)c1ccccc1 Show InChI InChI=1S/C20H22N4/c1-2-7-18(8-3-1)17-22-13-15-24(16-14-22)20-19(9-6-10-21-20)23-11-4-5-12-23/h1-12H,13-17H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor was measured using [3H]granisetron as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
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