Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50334441'   

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))	BDBM50334441 ((S)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5...) Show SMILES O=c1n(cc2[nH][nH]c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:13.15,(-.61,1.94,;.74,1.15,;2.06,1.92,;3.4,1.15,;3.4,-.39,;4.55,-1.43,;3.52,-3.18,;2.06,-2.71,;.74,-3.48,;-.6,-2.71,;-.6,-1.16,;.73,-.4,;2.07,-1.16,;2.06,3.46,;.72,4.22,;.73,5.76,;2.06,6.53,;3.39,5.76,;3.39,4.23,;1.89,4.73,;2.21,5.37,)| Show InChI InChI=1S/C16H18N4O/c21-16-11-2-1-3-12-15(11)13(18-17-12)8-20(16)14-9-19-6-4-10(14)5-7-19/h1-3,8,10,14,17-18H,4-7,9H2/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				Bioorg Med Chem Lett 21: 58-61 (2010) Article DOI: 10.1016/j.bmcl.2010.11.080 BindingDB Entry DOI: 10.7270/Q2474B4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50334441 ((S)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5...) Show SMILES O=c1n(cc2[nH][nH]c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:13.15,(-.61,1.94,;.74,1.15,;2.06,1.92,;3.4,1.15,;3.4,-.39,;4.55,-1.43,;3.52,-3.18,;2.06,-2.71,;.74,-3.48,;-.6,-2.71,;-.6,-1.16,;.73,-.4,;2.07,-1.16,;2.06,3.46,;.72,4.22,;.73,5.76,;2.06,6.53,;3.39,5.76,;3.39,4.23,;1.89,4.73,;2.21,5.37,)| Show InChI InChI=1S/C16H18N4O/c21-16-11-2-1-3-12-15(11)13(18-17-12)8-20(16)14-9-19-6-4-10(14)5-7-19/h1-3,8,10,14,17-18H,4-7,9H2/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	5	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
					More data for this Ligand-Target Pair