Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM200751'   

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))	BDBM200751 (US9233108, 16) Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2oc1=O)[C@H]1CC[C@@H](CC1)c1cccc2Oc3ccccc3C(C)(C([O-])=O)c12 |wU:33.39,wD:30.32,13.13,(5.33,-12.32,;4,-11.55,;2.67,-12.32,;1.33,-11.55,;,-12.32,;-1.33,-11.55,;-2.74,-12.18,;-3.22,-13.64,;-4.72,-13.96,;-5.75,-12.82,;-7.26,-13.14,;-7.74,-14.6,;-9.24,-14.92,;-9.72,-16.39,;-8.69,-17.53,;-11.22,-16.71,;-11.7,-18.17,;-13.21,-18.49,;-14.24,-17.35,;-15.74,-17.67,;-13.76,-15.88,;-14.79,-14.74,;-16.3,-15.06,;-16.77,-16.52,;-12.25,-15.56,;-5.28,-11.35,;-3.77,-11.03,;-3,-9.7,;-1.49,-10.02,;-.35,-8.99,;4,-10.01,;5.33,-9.24,;5.33,-7.7,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;9.34,-2.31,;10.67,-3.08,;10.67,-4.62,;9.34,-5.39,;8,-4.62,;6.67,-5.39,;5.95,-6.75,;7.39,-6.75,;8.93,-6.8,;6.58,-8.06,;5.33,-4.62,)| Show InChI InChI=1S/C42H46N4O8/c1-42(40(50)51)31-8-3-4-9-36(31)53-37-10-5-7-30(39(37)42)27-12-15-29(16-13-27)45(2)19-6-20-46-33-17-11-26(21-38(33)54-41(46)52)23-43-24-35(49)28-14-18-34(48)32(22-28)44-25-47/h3-5,7-11,14,17-18,21-22,25,27,29,35,43,48-49H,6,12-13,15-16,19-20,23-24H2,1-2H3,(H,44,47)(H,50,51)/p-1/t27-,29-,35-,42?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
ALMIRALL, S.A. US Patent					Assay Description The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...				US Patent US9233108 (2016) BindingDB Entry DOI: 10.7270/Q23J3BSN
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