Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M5' and Ligand = 'BDBM50518564'   

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 M5 (Homo sapiens (Human))	BDBM50518564 (CHEMBL4473985) Show SMILES COc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:10:11:14.15:17.18,(75.72,-42.28,;74.41,-41.47,;73.05,-42.19,;72.99,-43.73,;71.63,-44.45,;70.33,-43.63,;68.97,-44.35,;67.66,-43.53,;66.3,-44.25,;66.25,-45.79,;65,-43.43,;63.64,-44.15,;63.29,-45.59,;61.8,-45.08,;61.79,-43.05,;62.39,-41.79,;62.42,-43.7,;60.72,-44.16,;60.31,-45.59,;65.05,-41.89,;66.42,-41.18,;66.47,-39.64,;65.17,-38.82,;63.8,-39.55,;63.75,-41.08,;70.38,-42.1,;71.73,-41.37,;71.79,-39.83,)| Show InChI InChI=1S/C22H25FN2O3/c1-27-21-8-7-16(13-19(21)23)15-28-22(26)25(18-5-3-2-4-6-18)20-14-24-11-9-17(20)10-12-24/h2-8,13,17,20H,9-12,14-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M5 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
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