Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50176719'   

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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50176719 (4-(3-methoxyquinuclidin-3-yl)-1,2-diphenylbut-3-yn...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(Cc1ccccc1)c1ccccc1 |THB:1:2:5.6:9.8,(-3.05,-15.66,;-1.56,-16.04,;-1.15,-17.54,;-.96,-18.91,;.58,-18.26,;1.94,-18.89,;1.67,-17.5,;.32,-16.89,;.39,-15.26,;.83,-16.36,;-2.65,-17.93,;-4.14,-18.33,;-5.63,-18.72,;-6.03,-17.24,;-5.24,-20.21,;-3.75,-20.61,;-3.36,-22.1,;-1.88,-22.5,;-.79,-21.42,;-1.19,-19.92,;-2.67,-19.53,;-7.12,-19.12,;-8.22,-18.03,;-9.7,-18.42,;-10.1,-19.91,;-9.01,-21.01,;-7.53,-20.61,)| Show InChI InChI=1S/C24H27NO2/c1-27-24(19-25-16-12-22(24)13-17-25)15-14-23(26,21-10-6-3-7-11-21)18-20-8-4-2-5-9-20/h2-11,22,26H,12-13,16-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M3 receptor				Bioorg Med Chem Lett 16: 373-7 (2005) Article DOI: 10.1016/j.bmcl.2005.09.079 BindingDB Entry DOI: 10.7270/Q2T72J70
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