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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50020518'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020518
PNG
(1-Butoxymethyl-2-(hydroxyimino-methyl)-3-methyl-3H...)
Show SMILES CCCCOC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C10H18N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h5-6H,3-4,7-9H2,1-2H3/q+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+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))
BDBM50020518
PNG
(1-Butoxymethyl-2-(hydroxyimino-methyl)-3-methyl-3H...)
Show SMILES CCCCOC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C10H18N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h5-6H,3-4,7-9H2,1-2H3/q+1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.75E+4n/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
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50020518
PNG
(1-Butoxymethyl-2-(hydroxyimino-methyl)-3-methyl-3H...)
Show SMILES CCCCOC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C10H18N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h5-6H,3-4,7-9H2,1-2H3/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.20E+4n/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