Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50522815'   

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))	BDBM50522815 (CHEMBL4442329) Show SMILES [Br-].OC(C(=O)OC1C[N+]2(CCOc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(36.03,-18.83,;26.43,-20.78,;27.77,-21.55,;29.1,-22.32,;29.11,-23.86,;30.44,-21.54,;31.77,-22.31,;33.1,-21.53,;34.43,-22.31,;35.76,-21.54,;37.09,-22.31,;38.43,-21.55,;39.76,-22.32,;39.75,-23.86,;41.09,-24.63,;42.42,-23.86,;42.42,-22.32,;41.09,-21.55,;34.43,-23.85,;33.1,-24.61,;31.77,-23.85,;33.27,-23.65,;32.92,-22.6,;27.76,-20.01,;29.09,-19.24,;29.09,-17.7,;27.75,-16.93,;26.42,-17.71,;26.43,-19.25,;26.43,-22.33,;25.1,-21.55,;23.77,-22.33,;23.77,-23.87,;25.12,-24.63,;26.44,-23.86,)| Show InChI InChI=1S/C29H32NO4.BrH/c31-28(29(32,24-10-4-1-5-11-24)25-12-6-2-7-13-25)34-27-22-30(18-16-23(27)17-19-30)20-21-33-26-14-8-3-9-15-26;/h1-15,23,27,32H,16-22H2;1H/q+1;/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3R expressed in CHOK1 cell membranes incubated for 2 hrs by microbeta scintillation counting method				Bioorg Med Chem 27: 3339-3346 (2019) Article DOI: 10.1016/j.bmc.2019.06.016 BindingDB Entry DOI: 10.7270/Q2DR2ZXC
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