Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50522829'   

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))	BDBM50522829 (CHEMBL4457734) Show SMILES [Br-].OC(C(=O)OC1C[N+]2(CCSc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(58.41,-19.71,;49.43,-20.93,;50.77,-21.71,;52.1,-22.47,;52.11,-24.01,;53.44,-21.7,;54.77,-22.46,;56.1,-21.69,;57.43,-22.46,;58.76,-21.7,;60.1,-22.47,;61.43,-21.7,;62.76,-22.48,;62.76,-24.02,;64.09,-24.79,;65.43,-24.02,;65.42,-22.47,;64.09,-21.71,;57.43,-24.01,;56.1,-24.77,;54.77,-24.01,;56.27,-23.8,;55.92,-22.75,;50.76,-20.17,;52.1,-19.39,;52.09,-17.86,;50.75,-17.09,;49.42,-17.87,;49.43,-19.41,;49.44,-22.48,;48.1,-21.71,;46.77,-22.48,;46.77,-24.02,;48.12,-24.79,;49.45,-24.01,)| Show InChI InChI=1S/C29H32NO3S.BrH/c31-28(29(32,24-10-4-1-5-11-24)25-12-6-2-7-13-25)33-27-22-30(18-16-23(27)17-19-30)20-21-34-26-14-8-3-9-15-26;/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	0.650	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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