BDBM50189890 CHEMBL3828739

SMILES: [Br-].CN(C)C(=O)Oc1c(C)[n+](C)cc2COC(C)(C)OCc12

InChI Key: InChIKey=VNVYSHREEYTISA-UHFFFAOYSA-M

Data: 2 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 2 hits for monomerid = 50189890   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189890 (CHEMBL3828739) Show SMILES [Br-].CN(C)C(=O)Oc1c(C)[n+](C)cc2COC(C)(C)OCc12 Show InChI InChI=1S/C15H23N2O4.BrH/c1-10-13(21-14(18)16(4)5)12-9-20-15(2,3)19-8-11(12)7-17(10)6;/h7H,8-9H2,1-6H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50189890 (CHEMBL3828739) Show SMILES [Br-].CN(C)C(=O)Oc1c(C)[n+](C)cc2COC(C)(C)OCc12 Show InChI InChI=1S/C15H23N2O4.BrH/c1-10-13(21-14(18)16(4)5)12-9-20-15(2,3)19-8-11(12)7-17(10)6;/h7H,8-9H2,1-6H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.19E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair