Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50538319'   

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))	BDBM50538319 (CHEMBL4645845) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C32H41N7O3/c33-16-17-34-30(40)13-12-25-21-38(23-35-25)18-6-5-7-24-14-19-37(20-15-24)22-31(41)39-28-10-3-1-8-26(28)32(42)36-27-9-2-4-11-29(27)39/h1-4,8-11,21,23-24H,5-7,12-20,22,33H2,(H,34,40)(H,36,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay				J Med Chem 63: 4133-4154 (2020) Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT
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