Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50176734'   

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))	BDBM50176734 ((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-bis(3-(trifl...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(13.23,-41.34,;14.72,-41.73,;15.13,-43.22,;15.33,-44.6,;16.86,-43.94,;18.23,-44.57,;17.95,-43.18,;16.6,-42.57,;16.67,-40.94,;17.11,-42.04,;13.63,-43.62,;12.14,-44.01,;10.65,-44.41,;10.25,-42.92,;9.15,-44.8,;8.75,-46.29,;7.26,-46.7,;6.17,-45.6,;6.57,-44.11,;8.06,-43.71,;5.49,-43.02,;4.39,-41.91,;6.58,-41.93,;4.41,-44.12,;11.04,-45.9,;9.95,-46.98,;10.35,-48.47,;11.83,-48.87,;12.93,-47.78,;12.53,-46.3,;14.42,-48.18,;15.89,-48.57,;14.02,-49.66,;14.82,-46.69,)| Show InChI InChI=1S/C25H23F6NO2/c1-34-22(16-32-12-8-17(22)9-13-32)10-11-23(33,18-4-2-6-20(14-18)24(26,27)28)19-5-3-7-21(15-19)25(29,30)31/h2-7,14-15,17,33H,8-9,12-13,16H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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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