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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50119784'   
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
Cholinesterase


(Equus caballus (Horse))
BDBM50119784
PNG
(1-[6-(1lambda~5~-pyridin-1-yl)hexyl]-1lambda~5~-py...)
Show SMILES C(CCC[n+]1ccccc1)CC[n+]1ccccc1
Show InChI InChI=1S/C16H22N2/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-4,7-10,13-16H,1-2,5-6,11-12H2/q+2
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50119784
PNG
(1-[6-(1lambda~5~-pyridin-1-yl)hexyl]-1lambda~5~-py...)
Show SMILES C(CCC[n+]1ccccc1)CC[n+]1ccccc1
Show InChI InChI=1S/C16H22N2/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-4,7-10,13-16H,1-2,5-6,11-12H2/q+2
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



Military Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 20: 1763-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.034
BindingDB Entry DOI: 10.7270/Q2BK1CGS
More data for this
Ligand-Target Pair