Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50522818'   

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))	BDBM50522818 (CHEMBL4436930) Show SMILES [Br-].OC(C(=O)OC1C[N+]2(CCCc3cccc(F)c3)CCC1CC2)(c1ccccc1)c1ccccc1 |(60.41,-49.31,;51.01,-51.16,;52.35,-51.94,;53.68,-52.7,;53.69,-54.24,;55.02,-51.93,;56.35,-52.7,;57.68,-51.92,;59,-52.7,;60.34,-51.93,;61.67,-52.7,;63.01,-51.93,;64.34,-52.71,;65.67,-51.94,;67,-52.7,;67,-54.25,;65.66,-55.02,;65.66,-56.56,;64.33,-54.25,;59.01,-54.24,;57.68,-55,;56.35,-54.24,;57.84,-54.03,;57.49,-52.98,;52.34,-50.4,;53.67,-49.63,;53.67,-48.09,;52.33,-47.32,;51,-48.1,;51.01,-49.64,;51.02,-52.71,;49.68,-51.94,;48.35,-52.71,;48.36,-54.25,;49.7,-55.02,;51.03,-54.24,)| Show InChI InChI=1S/C30H33FNO3.BrH/c31-27-15-7-9-23(21-27)10-8-18-32-19-16-24(17-20-32)28(22-32)35-29(33)30(34,25-11-3-1-4-12-25)26-13-5-2-6-14-26;/h1-7,9,11-15,21,24,28,34H,8,10,16-20,22H2;1H/q+1;/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	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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