Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50296339'   

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))	BDBM50296339 ((3R)-3-{[(9-Methyl-9H-fluoren-9-yl)carbonyl]oxy}-1...) Show SMILES CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc12 |r,wD:5.4,(-3.34,-42.15,;-4.66,-42.93,;-3.33,-43.7,;-3.32,-45.24,;-2,-42.92,;-.66,-43.69,;-.66,-45.23,;.67,-45.99,;.65,-47.53,;1.98,-48.31,;3.32,-47.56,;4.65,-48.34,;5.99,-47.58,;7.31,-48.37,;8.65,-47.61,;8.67,-46.07,;7.33,-45.29,;6,-46.05,;2,-45.23,;2,-43.69,;.67,-42.91,;1.09,-44.15,;.04,-44.5,;-6.07,-43.55,;-6.53,-45.01,;-8.03,-45.34,;-9.07,-44.21,;-8.6,-42.75,;-7.11,-42.42,;-6.34,-41.08,;-6.82,-39.62,;-5.8,-38.48,;-4.29,-38.8,;-3.81,-40.26,;-4.84,-41.4,)| Show InChI InChI=1S/C31H34NO3/c1-31(27-14-7-5-12-25(27)26-13-6-8-15-28(26)31)30(33)35-29-22-32(19-16-23(29)17-20-32)18-9-21-34-24-10-3-2-4-11-24/h2-8,10-15,23,29H,9,16-22H2,1H3/q+1/t23?,29-,32?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHOK1 cells by microplate scintillation counting				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
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