Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor' and Ligand = 'BDBM50176715'   

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 (Cavia porcellus)	BDBM50176715 (3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccccn1 |THB:1:2:5.6:9.8,(24.36,-2.96,;25.9,-2.93,;26.7,-4.25,;27.26,-5.52,;28.56,-4.47,;30.04,-4.7,;29.4,-3.44,;27.93,-3.23,;27.56,-1.64,;28.29,-2.58,;25.37,-5.04,;24.04,-5.83,;22.72,-6.61,;21.93,-5.29,;21.39,-7.4,;20.04,-6.65,;18.73,-7.43,;18.75,-8.98,;20.09,-9.73,;21.41,-8.94,;23.5,-7.93,;22.75,-9.26,;23.53,-10.59,;25.07,-10.57,;25.83,-9.23,;25.04,-7.91,)| Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-15-10-18(21)11-16-24)12-13-22(25,19-7-3-2-4-8-19)20-9-5-6-14-23-20/h2-9,14,18,25H,10-11,15-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Antagonism in muscarinic M3 receptor in guinea pig left atria				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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