null

SMILES: [Br-].OC(C(=O)OC1C[N+]2(CCCc3cccc(c3)C(F)(F)F)CCC1CC2)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=ZKJWYIJKDODQEO-UHFFFAOYSA-M

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50522810   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50522810 (CHEMBL4441041) Show SMILES [Br-].OC(C(=O)OC1C[N+]2(CCCc3cccc(c3)C(F)(F)F)CCC1CC2)(c1ccccc1)c1ccccc1 |(82.45,-3.79,;73.05,-5.64,;74.39,-6.41,;75.73,-7.18,;75.73,-8.72,;77.06,-6.41,;78.39,-7.17,;79.72,-6.39,;81.05,-7.17,;82.38,-6.4,;83.71,-7.18,;85.05,-6.41,;86.38,-7.18,;87.71,-6.41,;89.04,-7.18,;89.04,-8.73,;87.7,-9.49,;86.37,-8.72,;87.7,-11.03,;86.37,-11.8,;89.03,-11.81,;87.69,-12.57,;81.05,-8.71,;79.72,-9.47,;78.39,-8.71,;79.89,-8.51,;79.54,-7.46,;74.39,-4.87,;75.72,-4.1,;75.71,-2.56,;74.38,-1.8,;73.04,-2.58,;73.05,-4.11,;73.06,-7.19,;71.72,-6.41,;70.39,-7.19,;70.4,-8.73,;71.74,-9.49,;73.07,-8.72,)| Show InChI InChI=1S/C31H33F3NO3.BrH/c32-31(33,34)27-15-7-9-23(21-27)10-8-18-35-19-16-24(17-20-35)28(22-35)38-29(36)30(37,25-11-3-1-4-12-25)26-13-5-2-6-14-26;/h1-7,9,11-15,21,24,28,37H,8,10,16-20,22H2;1H/q+1;/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3R expressed in CHOK1 cell membranes incubated for 2 hrs by microbeta scintillation counting method				Bioorg Med Chem 27: 3339-3346 (2019) Article DOI: 10.1016/j.bmc.2019.06.016 BindingDB Entry DOI: 10.7270/Q2DR2ZXC
					More data for this Ligand-Target Pair