Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50194652'   

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))	BDBM50194652 ((R)-N-((S)-piperidin-3-ylmethyl)-1-((S)-1-(3,3,3-t...) Show SMILES O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCNC1 Show InChI InChI=1S/C37H44N4O3/c42-34(25-37(29-14-4-1-5-15-29,30-16-6-2-7-17-30)31-18-8-3-9-19-31)40-23-12-21-33(40)36(44)41-24-11-20-32(41)35(43)39-27-28-13-10-22-38-26-28/h1-9,14-19,28,32-33,38H,10-13,20-27H2,(H,39,43)/t28-,32+,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells				J Med Chem 49: 5653-63 (2006) Article DOI: 10.1021/jm051205r BindingDB Entry DOI: 10.7270/Q2F76C6K
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