Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50176731'   

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))	BDBM50176731 (2-benzyl-4-(3-methoxyquinuclidin-3-yl)-1-phenylbut...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(Cc1ccccc1)Cc1ccccc1 |THB:1:2:5.6:9.8,(11.2,-14.77,;12.69,-15.16,;13.1,-16.65,;13.3,-18.03,;14.83,-17.37,;16.2,-18,;15.92,-16.61,;14.57,-16,;14.64,-14.37,;15.09,-15.48,;11.6,-17.05,;10.11,-17.44,;8.62,-17.84,;8.22,-16.35,;7.12,-18.24,;6.72,-19.72,;5.23,-20.11,;4.83,-21.6,;5.92,-22.69,;7.41,-22.29,;7.81,-20.8,;9.01,-19.33,;10.5,-19.73,;10.89,-21.22,;12.37,-21.62,;13.47,-20.54,;13.07,-19.04,;11.58,-18.65,)| Show InChI InChI=1S/C25H29NO2/c1-28-25(20-26-16-12-23(25)13-17-26)15-14-24(27,18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22/h2-11,23,27H,12-13,16-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	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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