Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM228846'   

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))	BDBM228846 (US9333195, 1) Show SMILES O=C(O[C@@H]1CC2CC[N+]1(CCCOc1ccccc1)CC2)C(c1ccccc1)c1ccccc1 |wU:3.2,THB:2:3:7.6:20.19,(6.43,-3.49,;5.86,-4.92,;4.34,-5.14,;3.39,-3.93,;3.1,-2.51,;1.72,-1.89,;1.79,-.21,;2.25,-1.34,;1.99,-3.28,;1.97,-4.82,;3.29,-5.61,;3.26,-7.15,;1.92,-7.9,;.6,-7.11,;-.75,-7.86,;-2.07,-7.07,;-2.05,-5.53,;-.7,-4.78,;.62,-5.57,;.42,-3.95,;.22,-2.54,;6.82,-6.13,;8.34,-5.91,;8.91,-4.48,;10.44,-4.26,;11.39,-5.47,;10.82,-6.9,;9.29,-7.12,;6.24,-7.56,;7.2,-8.77,;6.63,-10.2,;5.1,-10.42,;4.15,-9.21,;4.72,-7.78,)| Show InChI InChI=1S/C30H34NO3/c32-30(29(25-11-4-1-5-12-25)26-13-6-2-7-14-26)34-28-23-24-17-20-31(28,21-18-24)19-10-22-33-27-15-8-3-9-16-27/h1-9,11-16,24,28-29H,10,17-23H2/q+1/t24?,28-,31?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
ALMIRALL, S.A. US Patent					Assay Description The binding of [3H]-NMS to human muscarinic receptors was performed according to Waelbroek et al (1990) (1). Assays were carried out at 25° C. Membra...				US Patent US9333195 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SDB
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