Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50569297'   

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))	BDBM50569297 (CHEMBL4846536) Show SMILES O[C@@H](CNCCCCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:25.25,(48.77,-6.75,;50.1,-7.51,;51.43,-6.74,;52.77,-7.5,;54.1,-6.73,;55.44,-7.5,;56.77,-6.72,;58.11,-7.49,;59.44,-6.71,;60.77,-7.48,;62.1,-6.71,;63.44,-7.47,;64.77,-6.7,;66.11,-7.46,;67.44,-6.69,;67.43,-5.16,;68.75,-4.38,;70.1,-5.15,;70.1,-6.69,;68.77,-7.46,;71.44,-7.45,;72.77,-6.68,;74.11,-7.44,;74.11,-8.99,;75.44,-6.67,;76.77,-7.43,;76.77,-8.98,;78.1,-9.74,;79.43,-8.97,;79.43,-7.43,;78.09,-6.66,;78.85,-7.99,;77.32,-8.4,;71.44,-8.99,;70.11,-9.76,;70.11,-11.3,;71.45,-12.07,;72.78,-11.28,;72.77,-9.75,;50.11,-9.05,;48.78,-9.82,;48.78,-11.37,;50.11,-12.14,;50.11,-13.68,;51.44,-11.36,;52.77,-12.13,;54.11,-11.37,;55.44,-12.14,;54.12,-9.82,;52.78,-9.04,;51.44,-9.82,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.251	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
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