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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50024887   
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))
BDBM50024887
PNG
(CHEMBL3335054)
Show SMILES O=c1oc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C28H34N2O3/c31-28-26-11-5-4-10-24(26)25-13-12-23(20-27(25)33-28)32-19-7-6-14-29-15-17-30(18-16-29)21-22-8-2-1-3-9-22/h1-3,8-9,12-13,20H,4-7,10-11,14-19,21H2
PDB
MMDB

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Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50024887
PNG
(CHEMBL3335054)
Show SMILES O=c1oc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C28H34N2O3/c31-28-26-11-5-4-10-24(26)25-13-12-23(20-27(25)33-28)32-19-7-6-14-29-15-17-30(18-16-29)21-22-8-2-1-3-9-22/h1-3,8-9,12-13,20H,4-7,10-11,14-19,21H2
PDB
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair