Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50176712'   

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 M2 (Homo sapiens (Human))	BDBM50176712 (1-cyclopentyl-3-(3-methoxyquinuclidin-3-yl)-1-phen...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCCC1)c1ccccc1 |THB:1:2:5.6:9.8,(26.6,5.4,;28.09,5.01,;28.5,3.51,;28.69,2.14,;30.23,2.79,;31.59,2.16,;31.32,3.55,;29.97,4.16,;30.04,5.8,;30.48,4.69,;27,3.12,;25.5,2.72,;24.01,2.33,;23.61,3.81,;24.41,.84,;23.43,-.35,;24.27,-1.64,;25.76,-1.25,;25.84,.29,;22.52,1.93,;21.42,3.02,;19.94,2.63,;19.53,1.13,;20.63,.04,;22.11,.44,)| Show InChI InChI=1S/C22H29NO2/c1-25-21(17-23-15-11-18(21)12-16-23)13-14-22(24,20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,18,20,24H,5-6,9-12,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	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 M2 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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