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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50340109'   
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))
BDBM50340109
PNG
(CHEMBL1762827 | rac-4-[(13-Amino-10,11,12,14-tetra...)
Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(O)cc3)c12
Show InChI InChI=1S/C26H22N2O2/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(29)13-10-16)23-18-6-2-1-5-15(18)11-14-21(23)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Mixed inhibition of Electrophorus electricus acetylcholinesterase using acetylcholine as substrate by Ellman's method


Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50340109
PNG
(CHEMBL1762827 | rac-4-[(13-Amino-10,11,12,14-tetra...)
Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(O)cc3)c12
Show InChI InChI=1S/C26H22N2O2/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(29)13-10-16)23-18-6-2-1-5-15(18)11-14-21(23)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...


Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair