Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM99936'   

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))	BDBM99936 (US8501729, 32) Show SMILES O=C1N(CCc2cn(Cc3ccccc3)c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:21.24,(-4.69,1.64,;-3.2,1.24,;-2.15,2.37,;-.62,2.26,;.25,.99,;-.17,-.57,;.73,-1.82,;-.17,-3.06,;.23,-4.55,;1.71,-4.95,;2.11,-6.44,;3.6,-6.84,;4.69,-5.75,;4.29,-4.26,;2.8,-3.86,;-1.64,-2.59,;-2.97,-3.36,;-4.3,-2.59,;-4.3,-1.05,;-2.97,-.28,;-1.64,-1.05,;-2.55,3.86,;-4.04,4.26,;-4.44,5.75,;-3.35,6.84,;-1.86,6.44,;-1.46,4.95,;-2.95,4.61,;-2.95,6.15,)| Show InChI InChI=1S/C25H27N3O/c29-25-21-7-4-8-22-24(21)20(16-27(22)15-18-5-2-1-3-6-18)11-14-28(25)23-17-26-12-9-19(23)10-13-26/h1-8,16,19,23H,9-15,17H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
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