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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50279995'   
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))
BDBM50279995
PNG
(8-Fluoro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...)
Show SMILES Nc1c2CCCCc2nc2cccc(F)c12
Show InChI InChI=1S/C13H13FN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)
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MMDB

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Article
n/an/a 78n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)


Article DOI: 10.1016/S0960-894X(00)80267-X
BindingDB Entry DOI: 10.7270/Q2G73DN0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50279995
PNG
(8-Fluoro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...)
Show SMILES Nc1c2CCCCc2nc2cccc(F)c12
Show InChI InChI=1S/C13H13FN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against human erythrocyte acetylcholinesterase


J Med Chem 47: 4471-82 (2004)


Article DOI: 10.1021/jm049877p
BindingDB Entry DOI: 10.7270/Q26974WJ
More data for this
Ligand-Target Pair