Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50413417'   

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))	BDBM50413417 (CHEMBL523012) Show SMILES CC(=O)N1CCN(Cc2cccc(c2)-c2cccc(CNC(=O)c3ccc4OCOc4c3)c2)CC1 Show InChI InChI=1S/C28H29N3O4/c1-20(32)31-12-10-30(11-13-31)18-22-5-3-7-24(15-22)23-6-2-4-21(14-23)17-29-28(33)25-8-9-26-27(16-25)35-19-34-26/h2-9,14-16H,10-13,17-19H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	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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