Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50522809'   

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))	BDBM50522809 (CHEMBL4540604) Show SMILES [Br-].OC(C(=O)OC1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(59.77,-32.99,;51.72,-34.99,;53.06,-35.76,;54.4,-36.53,;54.4,-38.07,;55.73,-35.75,;57.07,-36.52,;58.4,-35.74,;59.72,-36.52,;61.06,-35.75,;62.39,-36.52,;63.72,-35.76,;65.05,-36.54,;66.39,-35.77,;66.39,-34.23,;65.05,-33.46,;63.72,-34.23,;59.73,-38.06,;58.4,-38.82,;57.07,-38.06,;58.56,-37.86,;58.21,-36.81,;53.06,-34.22,;54.39,-33.45,;54.39,-31.91,;53.05,-31.14,;51.71,-31.93,;51.72,-33.46,;51.73,-36.53,;50.4,-35.76,;49.07,-36.53,;49.07,-38.08,;50.42,-38.84,;51.74,-38.06,)| Show InChI InChI=1S/C29H32NO3.BrH/c31-28(29(32,25-12-6-2-7-13-25)26-14-8-3-9-15-26)33-27-22-30(20-17-24(27)18-21-30)19-16-23-10-4-1-5-11-23;/h1-15,24,27,32H,16-22H2;1H/q+1;/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	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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