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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10520'   
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))
BDBM10520
PNG
(9-{[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hept...)
Show SMILES C(CCCSc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H38N2S2/c1(2-12-22-36-32-24-14-4-8-18-28(24)34-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)35-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2
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PC cid
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Article
PubMed
>1.00E+4>-28.5n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10520
PNG
(9-{[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hept...)
Show SMILES C(CCCSc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H38N2S2/c1(2-12-22-36-32-24-14-4-8-18-28(24)34-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)35-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of fetal bovine serum AChE using acetylthiocholine iodide as substrate


Eur J Med Chem 132: 294-309 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.062
BindingDB Entry DOI: 10.7270/Q2HX1G33
More data for this
Ligand-Target Pair