Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50381651'   

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))	BDBM50381651 (CHEMBL2023753) Show SMILES C[N+]1(CCCC#N)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:12.13,TLB:0:1:12.11.29:9.8,THB:2:1:12.11.29:9.8,13:12:1:9.8,(31.05,-10.98,;32.55,-11.38,;33.31,-10.04,;32.53,-8.71,;33.29,-7.37,;34.83,-7.36,;36.36,-7.35,;33.6,-12.21,;33,-13.55,;31.82,-14.26,;32.81,-12.92,;34.65,-12.92,;35.63,-13.73,;36.4,-15.06,;37.94,-15.06,;38.33,-13.56,;38.72,-12.06,;38.71,-16.39,;37.94,-17.72,;38.72,-19.05,;40.26,-19.05,;41.02,-17.7,;40.25,-16.37,;39.42,-14.65,;40.51,-15.73,;41.99,-15.32,;42.38,-13.83,;41.28,-12.75,;39.8,-13.17,;35.36,-12.18,)| Show InChI InChI=1S/C27H32N3/c1-30(17-9-8-16-28)25-14-15-26(30)19-22(18-25)20-27(21-29,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-7,10-13,22,25-26H,8-9,14-15,17-20H2,1H3/q+1/t22-,25?,26?,30?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...				Bioorg Med Chem Lett 22: 3366-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.015 BindingDB Entry DOI: 10.7270/Q2C82B9Q
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