Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50522817'   

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 M2 (Homo sapiens (Human))	BDBM50522817 (CHEMBL4448944) Show SMILES [Br-].OC(C(=O)OC1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(82.27,-32.47,;72.86,-34.32,;74.2,-35.09,;75.54,-35.86,;75.54,-37.4,;76.87,-35.08,;78.21,-35.85,;79.54,-35.07,;80.86,-35.85,;82.19,-35.08,;83.53,-35.85,;84.86,-35.09,;86.19,-35.86,;86.19,-37.4,;87.52,-38.17,;88.85,-37.4,;88.85,-35.86,;87.52,-35.09,;80.87,-37.39,;79.54,-38.15,;78.21,-37.39,;79.7,-37.19,;79.35,-36.14,;74.2,-33.55,;75.53,-32.78,;75.53,-31.24,;74.19,-30.47,;72.85,-31.26,;72.86,-32.79,;72.87,-35.86,;71.54,-35.09,;70.21,-35.86,;70.21,-37.41,;71.56,-38.17,;72.88,-37.39,)| Show InChI InChI=1S/C30H34NO3.BrH/c32-29(30(33,26-14-6-2-7-15-26)27-16-8-3-9-17-27)34-28-23-31(21-18-25(28)19-22-31)20-10-13-24-11-4-1-5-12-24;/h1-9,11-12,14-17,25,28,33H,10,13,18-23H2;1H/q+1;/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.720	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 M2R 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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