Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50176720'   

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))	BDBM50176720 ((S)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(c1ccccc1)c1cccnc1 |wU:12.13,2.1,wD:12.14,2.11,THB:1:2:5.6:9.8,(-3.21,-15.79,;-1.68,-15.76,;-.87,-17.08,;-.31,-18.35,;.98,-17.3,;2.47,-17.53,;1.82,-16.27,;.36,-16.06,;-.02,-14.47,;.71,-15.41,;-2.21,-17.87,;-3.53,-18.65,;-4.86,-19.44,;-5.64,-18.12,;-6.18,-20.23,;-7.53,-19.48,;-8.85,-20.26,;-8.83,-21.81,;-7.48,-22.56,;-6.16,-21.77,;-4.07,-20.76,;-2.54,-20.74,;-1.76,-22.07,;-2.51,-23.4,;-4.05,-23.42,;-4.84,-22.11,)| Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3/t21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M3 receptor				Bioorg Med Chem Lett 16: 373-7 (2005) Article DOI: 10.1016/j.bmcl.2005.09.079 BindingDB Entry DOI: 10.7270/Q2T72J70
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