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BDBM50020519 1-(2,2-Dimethyl-propoxymethyl)-2-(hydroxyimino-methyl)-3-methyl-3H-imidazol-1-ium; chloride::CHEMBL33101

SMILES: Cn1cc[n+](COCC(C)(C)C)c1CN=O

InChI Key: InChIKey=JGZHSXVPMUXYQG-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50020519   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50020519
PNG
(1-(2,2-Dimethyl-propoxymethyl)-2-(hydroxyimino-met...)
Show SMILES Cn1cc[n+](COCC(C)(C)C)c1CN=O
Show InChI InChI=1S/C11H20N3O2/c1-11(2,3)8-16-9-14-6-5-13(4)10(14)7-12-15/h5-6H,7-9H2,1-4H3/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.40E+3n/an/an/an/an/an/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


(Electrophorus electricus (Electric eel))
BDBM50020519
PNG
(1-(2,2-Dimethyl-propoxymethyl)-2-(hydroxyimino-met...)
Show SMILES Cn1cc[n+](COCC(C)(C)C)c1CN=O
Show InChI InChI=1S/C11H20N3O2/c1-11(2,3)8-16-9-14-6-5-13(4)10(14)7-12-15/h5-6H,7-9H2,1-4H3/q+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+4n/an/an/an/an/an/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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020519
PNG
(1-(2,2-Dimethyl-propoxymethyl)-2-(hydroxyimino-met...)
Show SMILES Cn1cc[n+](COCC(C)(C)C)c1CN=O
Show InChI InChI=1S/C11H20N3O2/c1-11(2,3)8-16-9-14-6-5-13(4)10(14)7-12-15/h5-6H,7-9H2,1-4H3/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/an/a 8.40E+3n/an/an/an/an/an/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