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Compile Data Set for Download or QSAR

Found 1 hit from Astra Alab AB   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024715
PNG
(CHEMBL62373 | Isopropyl-carbamic acid 3-(1-propyl-...)
Show SMILES CCCN1CCCC(C1)c1cccc(OC(=O)NC(C)C)c1
Show InChI InChI=1S/C18H28N2O2/c1-4-10-20-11-6-8-16(13-20)15-7-5-9-17(12-15)22-18(21)19-14(2)3/h5,7,9,12,14,16H,4,6,8,10-11,13H2,1-3H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Astra Alab AB

Curated by ChEMBL


Assay Description
Inhibibitory activity against acetylcholinesterase in human blood


J Med Chem 30: 2008-12 (1987)


Article DOI: 10.1021/jm00394a014
BindingDB Entry DOI: 10.7270/Q2KD1WX8
More data for this
Ligand-Target Pair