Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM99935'   

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))	BDBM99935 (US8501729, 31) Show SMILES Cn1cc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:7.6,(2.58,-5.62,;1.81,-4.28,;2.71,-3.04,;1.81,-1.79,;2.23,-.23,;1.36,1.04,;-.18,1.15,;-.57,2.64,;-2.06,3.04,;-2.46,4.53,;-1.37,5.62,;.12,5.22,;.52,3.73,;-.97,3.39,;-.97,4.93,;-1.22,.03,;-2.71,.42,;-.99,-1.5,;-2.33,-2.27,;-2.33,-3.81,;-.99,-4.58,;.34,-3.81,;.34,-2.27,)| Show InChI InChI=1S/C19H23N3O/c1-20-11-14-7-10-22(17-12-21-8-5-13(17)6-9-21)19(23)15-3-2-4-16(20)18(14)15/h2-4,11,13,17H,5-10,12H2,1H3/t17-/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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