Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM354667'   

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))	BDBM354667 (US9809582, Example 10) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)CC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:37.38,(-6.42,-8.73,;-5.09,-9.5,;-3.76,-8.73,;-2.42,-9.5,;-1.09,-8.73,;-1.09,-7.19,;-2.42,-6.42,;-3.76,-7.19,;-5.09,-6.42,;-6.42,-7.19,;.24,-6.42,;1.58,-7.19,;2.91,-6.42,;4.24,-7.19,;4.24,-8.73,;5.58,-6.42,;5.58,-4.88,;6.91,-4.11,;4.24,-4.11,;2.91,-4.88,;1.58,-4.11,;.24,-4.88,;-1.09,-4.11,;-2.42,-4.88,;-1.09,-2.57,;-2.34,-1.66,;-1.86,-.2,;-.32,-.2,;.45,1.14,;-.32,2.47,;-1.86,2.62,;.45,3.81,;-.32,5.14,;-1.09,6.47,;.77,6.23,;.37,7.72,;2.26,5.83,;3.35,6.92,;4.83,6.52,;5.92,7.61,;5.52,9.1,;4.04,9.5,;2.95,8.41,;4.43,8.8,;4.43,7.26,;-1.81,5.54,;-2.21,7.03,;-3.69,7.42,;-4.78,6.34,;-4.38,4.85,;-2.9,4.45,;.16,-1.66,)| Show InChI InChI=1S/C39H43Cl2N3O7S/c1-39(27-8-6-5-7-9-27,38(46)51-35-23-43-16-14-25(35)15-17-43)24-42(2)20-28-11-13-36(52-28)37(45)50-33(19-29-30(40)21-44(47)22-31(29)41)26-10-12-32(48-3)34(18-26)49-4/h5-13,18,21-22,25,33,35H,14-17,19-20,23-24H2,1-4H3/t33-,35-,39?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...				US Patent US9809582 (2017) BindingDB Entry DOI: 10.7270/Q2H1345N
					More data for this Ligand-Target Pair