Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50595414'   

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))	BDBM50595414 (CHEMBL5187593) Show SMILES OC(=O)c1csc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)n1 |r,wU:15.16,wD:20.20,THB:19:20:23.24:26.27,(-9.91,-2.65,;-8.38,-2.49,;-7.48,-3.73,;-7.76,-1.08,;-8.53,.25,;-7.5,1.4,;-6.09,.77,;-4.76,1.54,;-3.42,.77,;-2.09,1.54,;-2.09,3.08,;-.75,3.85,;.58,3.08,;.58,1.54,;-.75,.77,;1.91,.77,;3.25,1.54,;4.58,.77,;4.58,-.77,;5.91,1.54,;7.25,.77,;7.25,-.77,;8.58,-1.54,;7.87,-.31,;9.29,.31,;8.58,1.54,;9.91,.77,;9.91,-.77,;1.91,-.77,;3.25,-1.54,;3.25,-3.08,;1.91,-3.85,;.58,-3.08,;.58,-1.54,;-6.25,-.76,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL									J Med Chem 48: 4500-3 (2005) Article DOI: 10.1021/acs.jmedchem.2c00609 BindingDB Entry DOI: 10.7270/Q2TH8RQS
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