Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50267471'   

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))	BDBM50267471 (3-(2-Hydroxy-2,2-diphenylethyl)-1-(2-phenylethyl)-...) Show SMILES OC(CC1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(27.38,-21.98,;28.16,-23.31,;26.82,-24.08,;25.49,-23.31,;25.49,-21.76,;24.14,-20.98,;24.12,-19.44,;25.45,-18.65,;25.44,-17.11,;26.77,-16.33,;26.75,-14.79,;25.41,-14.03,;24.07,-14.82,;24.1,-16.36,;22.8,-21.76,;22.8,-23.31,;24.14,-24.08,;24.79,-22.79,;23.51,-22.15,;29.48,-22.53,;30.82,-23.29,;32.14,-22.51,;32.13,-20.97,;30.78,-20.21,;29.46,-21,;28.92,-24.64,;28.14,-25.96,;28.9,-27.28,;30.43,-27.29,;31.19,-25.96,;30.43,-24.64,)| Show InChI InChI=1S/C29H34NO/c31-29(27-12-6-2-7-13-27,28-14-8-3-9-15-28)22-26-23-30(20-17-25(26)18-21-30)19-16-24-10-4-1-5-11-24/h1-15,25-26,31H,16-23H2/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	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...				J Med Chem 52: 2493-505 (2009) Article DOI: 10.1021/jm801601v BindingDB Entry DOI: 10.7270/Q2H131X8
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