Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50522816'   

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))	BDBM50522816 (CHEMBL4567385) Show SMILES [Br-].OC(C(=O)OC1C[N+]2(CCCOCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(14.86,-34.45,;3.91,-35.36,;5.25,-36.13,;6.59,-36.9,;6.59,-38.44,;7.92,-36.12,;9.26,-36.89,;10.58,-36.11,;11.91,-36.89,;13.24,-36.12,;14.58,-36.9,;15.91,-36.13,;17.24,-36.9,;18.58,-36.13,;19.91,-36.91,;19.9,-38.45,;21.23,-39.22,;22.57,-38.45,;22.57,-36.91,;21.24,-36.14,;11.91,-38.43,;10.58,-39.19,;9.26,-38.43,;10.75,-38.23,;10.4,-37.18,;5.25,-34.59,;6.58,-33.82,;6.58,-32.28,;5.24,-31.52,;3.9,-32.3,;3.91,-33.83,;3.92,-36.91,;2.59,-36.13,;1.26,-36.91,;1.26,-38.45,;2.6,-39.21,;3.93,-38.44,)| Show InChI InChI=1S/C31H36NO4.BrH/c33-30(31(34,27-13-6-2-7-14-27)28-15-8-3-9-16-28)36-29-23-32(20-17-26(29)18-21-32)19-10-22-35-24-25-11-4-1-5-12-25;/h1-9,11-16,26,29,34H,10,17-24H2;1H/q+1;/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	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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