Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50581189'   

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))	BDBM50581189 (CHEMBL5075132) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1F |r,wU:10.22,wD:33.34,(45.59,-53.85,;46.93,-54.62,;48.26,-53.85,;49.6,-54.62,;50.93,-53.85,;50.93,-52.3,;49.59,-51.54,;48.26,-52.31,;46.93,-51.54,;46.93,-50,;52.26,-51.53,;53.59,-52.29,;54.93,-51.52,;54.91,-49.99,;53.57,-49.23,;56.24,-49.21,;57.58,-49.97,;58.91,-49.2,;57.59,-51.52,;56.26,-52.29,;56.26,-53.83,;52.25,-49.99,;50.92,-49.22,;49.59,-50,;50.91,-47.68,;52.24,-46.91,;52.24,-45.37,;50.9,-44.61,;50.92,-43.07,;52.27,-42.32,;53.59,-43.1,;54.93,-42.35,;53.57,-44.64,;54.89,-45.43,;54.86,-46.97,;56.18,-47.76,;57.53,-47.01,;57.55,-45.47,;56.23,-44.68,;55.41,-46.11,;56.97,-46.42,;52.29,-40.78,;53.63,-40.03,;53.66,-38.49,;52.33,-37.7,;50.98,-38.46,;50.97,-40,;49.57,-45.39,;49.58,-46.93,;48.25,-47.71,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	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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