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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM9020'   
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


(Homo sapiens (Human))
BDBM9020
PNG
(3-(1H-Indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H34N4O/c34-28(17-16-21-20-32-25-13-5-2-10-22(21)25)30-18-8-1-9-19-31-29-23-11-3-6-14-26(23)33-27-15-7-4-12-24(27)29/h2-3,5-6,10-11,13-14,20,32H,1,4,7-9,12,15-19H2,(H,30,34)(H,31,33)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9020
PNG
(3-(1H-Indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H34N4O/c34-28(17-16-21-20-32-25-13-5-2-10-22(21)25)30-18-8-1-9-19-31-29-23-11-3-6-14-26(23)33-27-15-7-4-12-24(27)29/h2-3,5-6,10-11,13-14,20,32H,1,4,7-9,12,15-19H2,(H,30,34)(H,31,33)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair