BDBM50109574 3-Dimethylcarbamoyloxy-2-(2,2-diphenyl-propionyloxymethyl)-1-methyl-pyridinium ; methylsulfate::CHEMBL443499

SMILES: CN(C)C(=O)Oc1ccc[n+](C)c1COC(=O)C(C)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=WHIMEOMPXHBKBV-UHFFFAOYSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50109574   

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
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50109574 (3-Dimethylcarbamoyloxy-2-(2,2-diphenyl-propionylox...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1COC(=O)C(C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27N2O4/c1-25(19-12-7-5-8-13-19,20-14-9-6-10-15-20)23(28)30-18-21-22(16-11-17-27(21)4)31-24(29)26(2)3/h5-17H,18H2,1-4H3/q+1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibitory activity against Butyrylcholinesterase (BChE)				J Med Chem 45: 902-10 (2002) BindingDB Entry DOI: 10.7270/Q22B8ZR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50109574 (3-Dimethylcarbamoyloxy-2-(2,2-diphenyl-propionylox...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1COC(=O)C(C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27N2O4/c1-25(19-12-7-5-8-13-19,20-14-9-6-10-15-20)23(28)30-18-21-22(16-11-17-27(21)4)31-24(29)26(2)3/h5-17H,18H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibitory activity against Acetylcholinesterase (AChE)				J Med Chem 45: 902-10 (2002) BindingDB Entry DOI: 10.7270/Q22B8ZR5
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50109574 (3-Dimethylcarbamoyloxy-2-(2,2-diphenyl-propionylox...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1COC(=O)C(C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27N2O4/c1-25(19-12-7-5-8-13-19,20-14-9-6-10-15-20)23(28)30-18-21-22(16-11-17-27(21)4)31-24(29)26(2)3/h5-17H,18H2,1-4H3/q+1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description 50 percent inhibitory concentration of Butyrylcholinesterase (BChE)				J Med Chem 45: 902-10 (2002) BindingDB Entry DOI: 10.7270/Q22B8ZR5
					More data for this Ligand-Target Pair