Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50569295'   

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))	BDBM50569295 (CHEMBL4854418) Show SMILES O[C@@H](CNCCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.23,(39.22,-23.81,;40.55,-24.58,;41.88,-23.8,;43.22,-24.57,;44.55,-23.79,;45.89,-24.56,;47.22,-23.79,;48.55,-24.55,;49.89,-23.78,;51.22,-24.54,;52.55,-23.77,;53.89,-24.54,;55.22,-23.76,;55.21,-22.23,;56.54,-21.45,;57.88,-22.22,;57.88,-23.76,;56.55,-24.53,;59.22,-24.53,;60.55,-23.75,;61.89,-24.51,;61.89,-26.06,;63.22,-23.74,;64.55,-24.5,;64.55,-26.05,;65.88,-26.81,;67.21,-26.05,;67.21,-24.5,;65.87,-23.73,;66.63,-25.06,;65.1,-25.47,;59.22,-26.07,;57.89,-26.83,;57.89,-28.37,;59.23,-29.14,;60.56,-28.36,;60.55,-26.82,;40.56,-26.12,;39.23,-26.89,;39.23,-28.43,;40.56,-29.2,;40.56,-30.74,;41.89,-28.43,;43.22,-29.2,;44.56,-28.43,;45.89,-29.2,;44.56,-26.88,;43.23,-26.1,;41.89,-26.88,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127975 BindingDB Entry DOI: 10.7270/Q2F193HC
					More data for this Ligand-Target Pair