Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50291393'   

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))	BDBM50291393 (CHEMBL168145 | N-Ethyl-3-iodo-N-(4-{1-[2-oxo-2-(11...) Show SMILES CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1cccc(I)c1 Show InChI InChI=1S/C33H37IN4O3/c1-2-37(33(41)25-11-9-12-26(34)22-25)19-8-7-10-24-17-20-36(21-18-24)23-31(39)38-29-15-5-3-13-27(29)32(40)35-28-14-4-6-16-30(28)38/h3-6,9,11-16,22,24H,2,7-8,10,17-21,23H2,1H3,(H,35,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the binding affinity against muscarinic receptor subtype 2 (M2)				Bioorg Med Chem Lett 7: 799-804 (1997) Article DOI: 10.1016/S0960-894X(97)00109-1 BindingDB Entry DOI: 10.7270/Q22N529J
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