Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50413458'   

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))	BDBM50413458 (CHEMBL508097) Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCN(CCCO)CC4)c3)ccc2F)CCN1 Show InChI InChI=1S/C34H44FN5O2/c1-26-23-40(13-11-36-26)25-28-5-2-7-30(19-28)32-21-27(9-10-33(32)35)22-37-34(42)31-8-3-6-29(20-31)24-39-16-14-38(15-17-39)12-4-18-41/h2-3,5-10,19-21,26,36,41H,4,11-18,22-25H2,1H3,(H,37,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0631	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...				Bioorg Med Chem Lett 19: 1686-90 (2009) Article DOI: 10.1016/j.bmcl.2009.01.098 BindingDB Entry DOI: 10.7270/Q2639QZ5
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