Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50419490'   

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))	BDBM50419490 (CHEMBL1921929) Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(9.51,2.28,;9.52,3.82,;9.52,5.36,;10.86,6.13,;10.86,7.68,;9.52,8.46,;8.18,7.68,;8.18,6.12,;10.87,3.04,;10.87,1.5,;12.2,3.83,;13.55,3.05,;13.55,1.51,;14.88,.75,;14.87,-.79,;16.19,-1.57,;17.53,-.81,;18.86,-1.59,;18.85,-3.12,;20.17,-3.89,;21.5,-3.13,;21.5,-1.59,;20.18,-.82,;16.22,1.51,;16.22,3.05,;14.88,3.84,;14.1,2.51,;15.58,2.11,;8.19,3.06,;6.86,3.85,;5.52,3.09,;5.51,1.55,;6.84,.77,;8.18,1.53,)| Show InChI InChI=1S/C29H39N2O3/c1-29(25-11-5-2-6-12-25,30-17-9-4-10-18-30)28(32)34-27-23-31(19-15-24(27)16-20-31)21-22-33-26-13-7-3-8-14-26/h2-3,5-8,11-14,24,27H,4,9-10,15-23H2,1H3/q+1/t24?,27-,29-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]NMS from recombinant human M3 receptor expressed in CHO-K1 cells after 16 hrs				Bioorg Med Chem Lett 21: 7440-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.002 BindingDB Entry DOI: 10.7270/Q2H41SPH
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