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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50003281   
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))
BDBM50468986
PNG
(CHEMBL4282163)
Show SMILES Cl.Cl.Nc1ccc(O)c(CN2CCCC2)c1
Show InChI InChI=1S/C11H16N2O/c12-10-3-4-11(14)9(7-10)8-13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8,12H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



TNO

Curated by ChEMBL


Assay Description
Non-competitive inhibition of AChE in human erythrocytes using varying levels of acetylthiocholine as substrate measured for 1 min by Lineweaver-burk...


Eur J Med Chem 157: 151-160 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.016
BindingDB Entry DOI: 10.7270/Q2FF3W3C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50455616
PNG
(CHEMBL4215993)
Show SMILES CCN(CC)Cc1cc(N)ccc1O
Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.77E+4n/an/an/an/an/an/an/an/a



TNO

Curated by ChEMBL


Assay Description
Non-competitive inhibition of AChE in human erythrocytes using varying levels of acetylthiocholine as substrate measured for 1 min by Lineweaver-burk...


Eur J Med Chem 157: 151-160 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.016
BindingDB Entry DOI: 10.7270/Q2FF3W3C
More data for this
Ligand-Target Pair