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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50000512   
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


(Anopheles gambiae)
BDBM50252257
PNG
(CHEMBL4092186)
Show SMILES COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl
Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-3-2-11(10-12(13)15)17-14(21)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,21)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Anopheles gambiae AChE1 expressed in baculovirus-infected Sf9 insect cells using acetylthiocholine iodide as su...


Eur J Med Chem 134: 415-427 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.050
BindingDB Entry DOI: 10.7270/Q23X893Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50252256
PNG
(CHEMBL4064806)
Show SMILES COc1ccccc1NC(=S)NCCN(C)C
Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Anopheles gambiae AChE1 expressed in baculovirus-infected Sf9 insect cells using acetylthiocholine iodide as su...


Eur J Med Chem 134: 415-427 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.050
BindingDB Entry DOI: 10.7270/Q23X893Z
More data for this
Ligand-Target Pair