Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50379278'   

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 M2 (Homo sapiens (Human))	BDBM50379278 (CHEMBL2011501) Show SMILES O=C(N[C@H]1CCCC[C@@H]1OCc1ccccc1)c1coc(n1)-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1 |r| Show InChI InChI=1S/C33H40N4O4/c38-31(34-28-10-4-5-11-30(28)40-22-24-8-2-1-3-9-24)29-23-41-32(35-29)25-12-14-26(15-13-25)33(39)37-20-16-27(17-21-37)36-18-6-7-19-36/h1-3,8-9,12-15,23,27-28,30H,4-7,10-11,16-22H2,(H,34,38)/t28-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Orthosteric antagonist activity at M2 receptor by AS-MS analysis				Bioorg Med Chem 20: 1979-89 (2012) Article DOI: 10.1016/j.bmc.2011.11.071 BindingDB Entry DOI: 10.7270/Q22J6CVS
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