Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50581197'   

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))	BDBM50581197 (CHEMBL5077250) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cccc(c2)C(F)F)s1 |r,wU:10.22,wD:33.34,(21.46,-24.8,;22.8,-25.57,;24.13,-24.8,;25.46,-25.57,;26.79,-24.8,;26.79,-23.25,;25.46,-22.49,;24.13,-23.26,;22.8,-22.49,;22.8,-20.95,;28.12,-22.47,;29.46,-23.24,;30.79,-22.46,;32.12,-23.23,;32.13,-24.77,;33.45,-22.46,;33.45,-20.92,;34.77,-20.14,;32.1,-20.16,;30.77,-20.93,;29.44,-20.17,;28.12,-20.93,;26.78,-20.17,;25.45,-20.94,;26.77,-18.63,;25.52,-17.73,;25.98,-16.27,;27.52,-16.26,;28.42,-15.01,;27.79,-13.61,;28.69,-12.36,;28.05,-10.95,;30.16,-12.47,;31.12,-11.26,;32.64,-11.5,;33.6,-10.3,;32.39,-9.34,;31.86,-10.84,;30.56,-9.84,;31.52,-8.63,;33.04,-8.87,;26.25,-13.46,;25.37,-14.72,;23.84,-14.58,;23.19,-13.17,;24.08,-11.92,;25.62,-12.06,;23.44,-10.51,;24.33,-9.26,;21.91,-10.37,;28.01,-17.72,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	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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