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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM9037'   
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))
BDBM9037
PNG
(Indole-Tacrine Heterodimer 20 | N-[5-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-15-16-25-28(19-22)35-27-13-5-3-11-24(27)30(25)33-18-7-1-6-17-32-29(36)14-8-9-21-20-34-26-12-4-2-10-23(21)26/h2,4,10,12,15-16,19-20,34H,1,3,5-9,11,13-14,17-18H2,(H,32,36)(H,33,35)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.300n/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))
BDBM9037
PNG
(Indole-Tacrine Heterodimer 20 | N-[5-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-15-16-25-28(19-22)35-27-13-5-3-11-24(27)30(25)33-18-7-1-6-17-32-29(36)14-8-9-21-20-34-26-12-4-2-10-23(21)26/h2,4,10,12,15-16,19-20,34H,1,3,5-9,11,13-14,17-18H2,(H,32,36)(H,33,35)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.300n/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