Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50581188'   

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))	BDBM50581188 (CHEMBL5076680) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)Cc1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wU:10.22,wD:34.35,(26.37,-52.58,;27.7,-53.35,;29.04,-52.58,;30.37,-53.35,;31.71,-52.58,;31.7,-51.03,;30.37,-50.26,;29.04,-51.03,;27.7,-50.26,;27.7,-48.72,;33.03,-50.25,;34.37,-51.02,;35.7,-50.24,;35.69,-48.71,;34.35,-47.95,;37.01,-47.93,;38.36,-48.7,;39.69,-47.92,;38.36,-50.24,;37.03,-51.01,;37.04,-52.55,;33.03,-48.71,;31.69,-47.95,;30.36,-48.72,;31.68,-46.41,;30.34,-45.64,;30.28,-44.1,;28.92,-43.39,;27.62,-44.21,;26.27,-43.48,;26.23,-41.94,;27.54,-41.14,;27.51,-39.6,;28.89,-41.87,;30.21,-41.07,;31.56,-41.82,;32.87,-41.02,;32.84,-39.48,;31.49,-38.74,;30.17,-39.54,;31.05,-40.93,;32.06,-39.69,;24.88,-41.2,;24.85,-39.66,;23.5,-38.92,;22.18,-39.72,;22.22,-41.27,;23.58,-42,;27.69,-45.76,;29.05,-46.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
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