Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50181124'   

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))	BDBM50181124 (6-(azepan-1-yl)-N,2-dicyclopropyl-5-nitropyrimidin...) Show SMILES [O-][N+](=O)c1c(NC2CC2)nc(nc1N1CCCCCC1)C1CC1 Show InChI InChI=1S/C16H23N5O2/c22-21(23)13-15(17-12-7-8-12)18-14(11-5-6-11)19-16(13)20-9-3-1-2-4-10-20/h11-12H,1-10H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells				Bioorg Med Chem Lett 16: 1834-9 (2006) Article DOI: 10.1016/j.bmcl.2006.01.006 BindingDB Entry DOI: 10.7270/Q2TQ613B
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