Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50363286'   

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))	BDBM50363286 (CHEMBL1945714) Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCCCn3nc(C(=O)NC4C[C@@H]5CCC[C@@H](C4)N5C)c4ccccc34)c(=O)oc2c1 |r,TLB:33:32:27.28.29:31.24.25| Show InChI InChI=1S/C35H44N6O4/c1-4-40(5-2)27-16-15-23-19-29(35(44)45-31(23)22-27)33(42)36-17-8-9-18-41-30-14-7-6-13-28(30)32(38-41)34(43)37-24-20-25-11-10-12-26(21-24)39(25)3/h6-7,13-16,19,22,24-26H,4-5,8-12,17-18,20-21H2,1-3H3,(H,36,42)(H,37,43)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	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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