Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50595416'   

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))	BDBM50595416 (CHEMBL5178217) Show SMILES Cn1nc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1C(O)=O |r,wU:12.13,wD:17.17,THB:16:17:20.21:23.24,(-9.99,.25,;-8.45,.25,;-7.42,1.4,;-6.01,.77,;-4.68,1.54,;-3.35,.77,;-2.01,1.54,;-2.01,3.08,;-.68,3.85,;.66,3.08,;.66,1.54,;-.68,.77,;1.99,.77,;3.32,1.54,;4.66,.77,;4.66,-.77,;5.99,1.54,;7.32,.77,;7.32,-.77,;8.66,-1.54,;7.95,-.31,;9.37,.31,;8.66,1.54,;9.99,.77,;9.99,-.77,;1.99,-.77,;3.32,-1.54,;3.32,-3.08,;1.99,-3.85,;.66,-3.08,;.66,-1.54,;-6.17,-.76,;-7.68,-1.08,;-8.31,-2.49,;-9.84,-2.65,;-7.4,-3.73,)| 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
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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