Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50223981'   

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))	BDBM50223981 (8,8-dimethyl-3-(phenyl-thiophen-3-ylmethyl-carbamo...) Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5| Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(14-16-10-11-26-15-16)17-6-4-3-5-7-17/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithkline Curated by ChEMBL					Assay Description Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization				Bioorg Med Chem Lett 17: 6066-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.071 BindingDB Entry DOI: 10.7270/Q2BC3Z8T
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