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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50261236   
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


(Homo sapiens (Human))
BDBM50261236
PNG
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)
Show SMILES COc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C37H39NO4/c1-38(27-28-14-7-6-8-15-28)24-11-4-3-5-12-25-41-31-22-20-29(21-23-31)37-35(33-18-9-10-19-34(33)42-37)36(39)30-16-13-17-32(26-30)40-2/h6-10,13-23,26H,3-5,11-12,24-25,27H2,1-2H3
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PC cid
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Article
PubMed
n/an/a 2.17E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuchE after 20 mins by Ellman's method


J Med Chem 51: 2883-6 (2008)


Article DOI: 10.1021/jm8002747
BindingDB Entry DOI: 10.7270/Q2Q52PFQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50261236
PNG
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)
Show SMILES COc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C37H39NO4/c1-38(27-28-14-7-6-8-15-28)24-11-4-3-5-12-25-41-31-22-20-29(21-23-31)37-35(33-18-9-10-19-34(33)42-37)36(39)30-16-13-17-32(26-30)40-2/h6-10,13-23,26H,3-5,11-12,24-25,27H2,1-2H3
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MMDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.27E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AchE after 20 mins by Ellman's method


J Med Chem 51: 2883-6 (2008)


Article DOI: 10.1021/jm8002747
BindingDB Entry DOI: 10.7270/Q2Q52PFQ
More data for this
Ligand-Target Pair