Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50381649'   

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))	BDBM50381649 (CHEMBL2023751) Show SMILES C[N+]1(CC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:10.11,TLB:0:1:10.9.27:7.6,THB:2:1:10.9.27:7.6,11:10:1:7.6,(4.71,-10.44,;6.21,-10.84,;6.97,-9.5,;6.19,-8.18,;6.95,-6.84,;7.26,-11.68,;6.66,-13.02,;5.48,-13.73,;6.47,-12.38,;8.31,-12.38,;9.29,-13.19,;10.06,-14.52,;11.6,-14.52,;11.99,-13.02,;12.39,-11.52,;12.37,-15.85,;11.61,-17.18,;12.38,-18.51,;13.92,-18.51,;14.69,-17.16,;13.91,-15.84,;13.08,-14.11,;14.17,-15.19,;15.65,-14.78,;16.04,-13.3,;14.94,-12.22,;13.46,-12.63,;9.02,-11.64,)| Show InChI InChI=1S/C26H31N2/c1-3-16-28(2)24-14-15-25(28)18-21(17-24)19-26(20-27,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h3-13,21,24-25H,1,14-19H2,2H3/q+1/t21-,24?,25?,28?	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	1.26	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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