Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50581191'   

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))	BDBM50581191 (CHEMBL5070876) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:33.34,(21.99,-25.56,;23.33,-26.33,;24.66,-25.56,;25.99,-26.33,;27.33,-25.56,;27.32,-24.01,;25.99,-23.25,;24.66,-24.02,;23.33,-23.25,;23.33,-21.71,;28.66,-23.24,;29.99,-24,;31.32,-23.23,;32.66,-24,;32.66,-25.54,;33.99,-23.22,;33.98,-21.68,;35.31,-20.91,;32.64,-20.92,;31.31,-21.7,;29.97,-20.94,;28.65,-21.7,;27.31,-20.93,;25.98,-21.71,;27.3,-19.39,;26.05,-18.5,;26.52,-17.03,;28.06,-17.02,;28.95,-15.77,;28.32,-14.37,;29.22,-13.12,;28.59,-11.71,;30.69,-13.23,;31.65,-12.02,;33.18,-12.26,;34.14,-11.06,;32.92,-10.1,;32.4,-11.6,;31.09,-10.59,;32.06,-9.39,;33.58,-9.63,;26.79,-14.22,;26.16,-12.81,;24.63,-12.66,;23.73,-13.91,;24.37,-15.32,;25.9,-15.47,;28.54,-18.49,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	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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