Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50413462'   

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))	BDBM50413462 (CHEMBL495358) Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCOCC4)c3)ccc2F)CCN1 Show InChI InChI=1S/C31H37FN4O2/c1-23-20-36(11-10-33-23)22-25-4-2-6-27(16-25)29-18-24(8-9-30(29)32)19-34-31(37)28-7-3-5-26(17-28)21-35-12-14-38-15-13-35/h2-9,16-18,23,33H,10-15,19-22H2,1H3,(H,34,37)	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	0.126	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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