Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50363290'   

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))	BDBM50363290 (CHEMBL1945834) Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCNc2ccc([N+]([O-])=O)c3nonc23)c2ccccc12 |r,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C26H30N8O4/c1-32-17-6-4-7-18(32)15-16(14-17)28-26(35)23-19-8-2-3-9-21(19)33(29-23)13-5-12-27-20-10-11-22(34(36)37)25-24(20)30-38-31-25/h2-3,8-11,16-18,27H,4-7,12-15H2,1H3,(H,28,35)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
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