BDBM50020514 2-(Hydroxyimino-methyl)-1-methoxymethyl-3-methyl-3H-imidazol-1-ium; chloride::CHEMBL289890

SMILES: COC[n+]1ccn(C)c1CN=O

InChI Key: InChIKey=URAIXWSQQQZTSC-UHFFFAOYSA-N

Data: 1 KI  6 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 7 hits for monomerid = 50020514   

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 (Electrophorus electricus (Electric eel))	BDBM50020514 (2-(Hydroxyimino-methyl)-1-methoxymethyl-3-methyl-3...) Show SMILES COC[n+]1ccn(C)c1CN=O Show InChI InChI=1S/C7H12N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-4H,5-6H2,1-2H3/q+1	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Compound was tested for the competitive inhibition of phosphorylation of Eel acetylcholinesterase (AChE)				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020514 (2-(Hydroxyimino-methyl)-1-methoxymethyl-3-methyl-3...) Show SMILES COC[n+]1ccn(C)c1CN=O Show InChI InChI=1S/C7H12N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-4H,5-6H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration of the HOX that inhibits 50% of AChE (Acetylcholinesterase) activity				J Med Chem 27: 1431-8 (1984) BindingDB Entry DOI: 10.7270/Q2TH8KP8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50020514 (2-(Hydroxyimino-methyl)-1-methoxymethyl-3-methyl-3...) Show SMILES COC[n+]1ccn(C)c1CN=O Show InChI InChI=1S/C7H12N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-4H,5-6H2,1-2H3/q+1	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Choline Acetyltransferase (RAT)	BDBM50020514 (2-(Hydroxyimino-methyl)-1-methoxymethyl-3-methyl-3...) Show SMILES COC[n+]1ccn(C)c1CN=O Show InChI InChI=1S/C7H12N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-4H,5-6H2,1-2H3/q+1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Compound was tested for the competitive inhibition of acetylcholinesterase (AChE)				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50020514 (2-(Hydroxyimino-methyl)-1-methoxymethyl-3-methyl-3...) Show SMILES COC[n+]1ccn(C)c1CN=O Show InChI InChI=1S/C7H12N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-4H,5-6H2,1-2H3/q+1	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of eel acetylcholinesterase (AChE) activity by 50%				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Mus musculus-MOUSE)	BDBM50020514 (2-(Hydroxyimino-methyl)-1-methoxymethyl-3-methyl-3...) Show SMILES COC[n+]1ccn(C)c1CN=O Show InChI InChI=1S/C7H12N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-4H,5-6H2,1-2H3/q+1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Compound was tested for the competitive inhibition of phosphonylation of Eel acetylcholinesterase (AChE)				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020514 (2-(Hydroxyimino-methyl)-1-methoxymethyl-3-methyl-3...) Show SMILES COC[n+]1ccn(C)c1CN=O Show InChI InChI=1S/C7H12N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-4H,5-6H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair