Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM160712'   

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))	BDBM160712 (US9045501, 5) Show SMILES O=C1N(CCCn2ccc3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:15.17,(-2.39,-.06,;-.9,-.46,;-.31,.96,;1.11,1.55,;2.53,.96,;3.12,-.46,;2.49,-2.18,;3.39,-3.42,;2.49,-4.67,;1.02,-4.19,;-.31,-4.96,;-1.65,-4.19,;-1.65,-2.65,;-.31,-1.88,;1.02,-2.65,;-1.08,2.3,;-2.62,2.3,;-3.39,3.63,;-2.62,4.96,;-1.08,4.96,;-.31,3.63,;-1.65,2.86,;-2.06,4.4,)| Show InChI InChI=1S/C19H23N3O/c23-19-16-4-1-3-15-7-12-21(18(15)16)8-2-9-22(19)17-13-20-10-5-14(17)6-11-20/h1,3-4,7,12,14,17H,2,5-6,8-11,13H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	416	-36.4	n/a	n/a	n/a	n/a	n/a	7.5	25
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 US9045501 (2015) BindingDB Entry DOI: 10.7270/Q2MK6BN0
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