BDBM50020521 2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethyl-propoxymethyl)-3H-imidazol-1-ium; chloride::CHEMBL32585

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

InChI Key: InChIKey=SRUIPMMSHVDGIM-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50020521   

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))	BDBM50020521 (2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...) Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60E+3	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 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 (Electrophorus electricus (Electric eel))	BDBM50020521 (2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...) Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	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
Choline Acetyltransferase (RAT)	BDBM50020521 (2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...) Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	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 (Bos taurus (bovine))	BDBM50020521 (2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...) Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020521 (2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...) Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+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	1.15E+4	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
Muscarinic acetylcholine receptor (Mus musculus-MOUSE)	BDBM50020521 (2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...) Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Compound was tested for the binding affinity towards muscarinic acetylcholine receptor in mouse brain membrane				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair